349 SMILES Strings for Serine/threonine-protein kinase 33

Compound Name
SMILES String
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
C1Cc2c([nH]c3ccccc23)-c2n[nH]cc12
C\C=C\Cn1c(SCc2ccc(Cl)cc2)nc2n(C)c(=O)[nH]c(=O)c12
COC(=O)c1cccc2C(N=O)c3ccccc3-c12
COc1ccccc1NC(=O)Nc1ncccc1C
c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3
Fc1ccc(cc1)-c1c[nH]cn1
CCSc1nc(N2CCOCC2)c2CCCCc2c1C#N
CN(C)c1nc2sc3COC(C)(C)Cc3c2c(=O)n1C
O=C1N2C(NC(=O)c3cnn(c23)-c2ccccc2)c2ccccc12
Oc1ccccc1-c1nc(NCCN2CCOCC2)c2ccccc2n1
O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
CCOC(=O)Cc1nnc(NC(=O)COc2ccc(C)cc2)s1
O=C1C(C(=O)c2ccccc12)c1ccncc1
NC(=O)c1c(N)sc2CCCCCc12
N1C(c2ccco2)n2c(nc3ccccc23)-c2ccccc12
CCn1c(C)nc2cc(ccc12)-c1nc2-c3ccccc3Cn2n1
COC(=O)c1cc(NC(=O)C2COc3ccccc3O2)cc(c1)C(=O)OC
CC1Cc2ccccc2N1C(=O)COC(=O)c1oc2ccccc2c1C
CCCn1c(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCC2)nc2ccccc12
N1C(c2cccnc2)n2c(nc3ccccc23)-c2ccccc12
CCC(Sc1ccc2nnc(-c3ccc(OC)c(OC)c3)n2n1)C(O)=O
COc1ccccc1Nc1oc2cc(=O)ccc2cc1C(N)=O
COC1(OC)N=C(N)C2(C#N)C(c3ccc4OCOc4c3)C12C#N |t:5|
Oc1ccc2oc3c(CCCNC3=O)c2c1
C1CCN(C1)c1ncnc2nc[nH]c12
CN1CCN(CC1)c1cc(C)c2cc(NC(=O)c3ccc(Br)o3)ccc2n1
Brc1ccc(o1)C(=O)Nc1cccc(c1)-c1cn2cccnc2n1
CCOc1ccc(cc1)-c1cc(CCCC(=O)NCCCOC)no1
[#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#7]-1-[#6]-c1ccco1)=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O |t:1,4|
COc1ccc(cc1OC)N=CC1C(=O)Nc2ccccc12 |w:10.10|
N(c1nc(cs1)-c1cccnc1)c1cccnc1
O=C(CSc1nc(nc(n1)N1CCCCC1)N1CCCCC1)c1ccccc1
COC(=O)Nc1nnc(Cc2ccccc2)s1
CCOc1ccccc1C(=O)Nc1cc(Cl)ccc1O
Oc1c2oc3[nH]c4ccc(Br)cc4c3cc2ccc1=O
COC(=O)c1ccccc1NC(=O)N1CCN(C\C=C\c2ccccc2)CC1
[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](-[#6]=[#6]-1)=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O |c:3,6|
O=C1Nc2ccccc2C1C=Nc1ccc2OCOc2c1 |w:11.13|
COc1cc(cc(OC)c1OC)N=CC1C(=O)Nc2ccccc12 |w:12.12|
Cc1cccc(c1)-c1nc2ccccc2c2nncn12
[#6]-[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](-[#6]=[#6]-1)=[#6]-1/[#6](=O)-c2ccccc2-[#6]-1=O |c:4,7|
O=NCc1c(Nc2ccccc2)nc2ccccn2c1=O
CCOc1cc(C=C(C#N)c2n[nH]c(N)c2C#N)ccc1O |w:6.5|
CCn1c(\C=C\c2ccc(o2)[N+]([O-])=O)nc2ccccc2c1=O
COc1cc(ccc1O)C1Nn2c(S1)nnc2-c1ccccc1OC
CCCn1c2ccc(cc2c2cc(ccc12)C(C)N=O)C(C)N=O
Brc1ccc(o1)C(=O)Nc1ccccc1-c1ccccc1
CCN(CC)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
COc1ccc(cc1)C(=O)ON=C(C)c1ccccc1
COc1ccc(cc1)C(=O)ON=C(C)c1cccs1
NC(=O)c1sc2nc(ccc2c1N)-c1ccco1
CCn1c2ccc(cc2c2cc(ccc12)C(C)N=O)C(C)N=O
CN1CCc2c(C1)sc1c2c(=O)n(-c2ccccc2)c2n[nH]c(=S)n12
N=c1n(Cc2ccco2)cnc2oc(c(-c3ccccc3)c12)-c1ccccc1
O=C1Nc2ccccc2C1=Cc1cnc[nH]1 |w:10.12|
CN(C)c1cc(N(C)C)c2C(=O)c3ccccc3C(=O)c2c1
O=C(Nc1ccccc1)C(=C/C=C/c1ccccc1)\C#N
Cc1c(\C=C\C(=O)c2ccc(O)cc2)cnn1C
OC(=O)c1cccc(Nc2nc(nc3ccccc23)-c2cccnc2)c1
[#6]-c1c(\[#7]=[#6]-2\[#6]=[#6]-[#6](=O)-[#6]=[#6]-2)c(=O)n(-c2ccccc2)n1-[#6] |c:5,9|
Oc1ccc(C=C2SC(NCc3ccccc3)=NC2=O)cc1 |w:5.4,c:17|
CCN(CC)c1ccc(\C=C2/C(=O)c3ccc(cc3C2=O)C(O)=O)cc1
Cc1cccc(c1)C(N)=NOC(=O)c1ccc2OCOc2c1 |w:9.10|
COc1ccc(cc1)C(=O)NNC(=O)c1ccccn1
CCN(CC)c1ccc(\C=C2\C(=O)c3ccc(cc3C2=O)C(O)=O)cc1
Cc1nn(C)cc1\C=C\C(=O)c1ccc(O)cc1
Cc1sc2ncnc(N=NCc3cccc(O)c3)c2c1C |w:8.7|
Cc1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)c(Br)c1
CN1CCN(CC1)C=NC1=NN(CC1)c1cccc(c1)C(F)(F)F |w:8.9,t:10|
CCNc1nc(N)nc(n1)-c1cc(Cl)ccc1O
Nc1c(O)ccc2C(=O)c3ccccc3C(=O)c12
Oc1cc(O)c2c(c1)oc(cc2=O)C1(O)C=CC(=O)C=C1 |c:17,21|
CCCCCCCCCCCCCCCC[n+]1cccc2ccccc12
CCNC(=S)Nc1ccc2cn[nH]c2c1
CC(C)NC(=S)Nc1ccc2cn[nH]c2c1
CCc1ccc(NC(=S)Nc2ccc3cn[nH]c3c2)cc1
Clc1cccc(NC(=S)Nc2ccc3cn[nH]c3c2)c1
COc1cc(C=NNC2=c3ccccc3=NC2=O)ccc1O |w:6.6,c:8,15|
CCn1c2ccc(C)cc2c2nc3cc(ccc3nc12)C(O)=O
Cn1c(\N=N\c2ccccc2)nc2ccccc12
O=[#6]-1-[#6]=[#6]\[#6](=[#6]\[#6]-c2ccnc3ccccc23)-[#6]=[#6]-1 |c:2,19|
OC(=O)Cc1ccc(cc1)N=Cc1c(O)ccc2ccccc12 |w:10.10|
Oc1ccc(\C=C2/SC(=O)NC2=O)cc1
[#6]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c(-[#6])n1-c1cccc(c1)-[#6](-[#8])=O
COc1ccc(NC(=O)c2cc(ccc2O)[N+]([O-])=O)cc1
Oc1ccc(C=NNC(=S)NN=Cc2ccc(O)cc2)cc1 |w:6.6,11.10|
Oc1ccc(\C=C2\SC(=O)NC2=O)c(O)c1
COc1ccc(cc1)-c1nc(no1)-c1ccccn1
COc1cc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)ccc1O |w:6.6|
Cc1ccc(cc1)-c1nn(CCC(O)=O)cc1\C=C/C(=O)c1ccc(Br)cc1
CN1CCN(CC1)c1ccc(NC(=O)c2ccc(o2)-c2cccc(c2)[N+]([O-])=O)cc1
[#6]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c(-[#6])n1-c1ccc(cc1)-[#6](-[#8])=O
CCn1cc(\C=C\C(=O)c2ccc(O)cc2)c(C)n1
Oc1ccc2ccccc2c1N=Nc1cccc(c1)S(O)(=O)=O |w:12.14|
OC(=O)Cn1cc(C=c2sc3nc4ccccc4n3c2=O)c2ccccc12
CCn1c2ccccc2c(=O)c2ccccc12
COc1ccc(\C=C\c2nc3ccccc3n2C)cc1
CC(=NNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)c1ccncc1 |w:2.2|
O=C1C(C(=O)c2ccccc12)c1ccccn1
CCCCCCCCCCCCCCCCn1cc[n+](C)c1
Cc1ccc2NC(=O)\C(=C/c3ccco3)c2c1
CCOc1ccc(cc1)-c1ccc(SC)nn1
Nc1c(ccc2C(=O)c3ccccc3C(=O)c12)C(O)=O
O=C(C(C#N)c1nc2ccccc2[nH]1)c1ccco1
Brc1ccc(o1)C(=O)Nc1nc2ccccc2[nH]1
S=C(Nc1cccnc1)Nc1cccc2cnccc12
S=C(NCc1ccccc1)Nc1ccc2cn[nH]c2c1
Oc1ccc(CN=Nc2ccc(cn2)C(F)(F)F)cc1 |w:7.7|
Cc1ccc(NC(=S)Nc2ccc3cn[nH]c3c2)c(C)c1
CCN(CC)C(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1
CN(C)S(=O)(=O)c1cccc(NC(=S)Nc2ccc3cn[nH]c3c2)c1
COc1cc(CN=Nc2ccc(cn2)C(F)(F)F)ccc1O |w:7.7|
COc1cc(C)c2c(Oc3c4C(O)OC(=O)c4c(O)c(C)c3OC2=O)c1C=O
COc1ccc(NC(=S)Nc2ccc3cn[nH]c3c2)cc1
Oc1ccc2c(C#N)c3ccccn3c2c1
COc1cc(ccc1O)-c1cc(=O)c2c(O)c(OC)c(OC)c(O)c2o1
S=C(Nc1ccccc1)Nc1ccc2cn[nH]c2c1
COc1cc2c(ccc3cc(OC)c(OC)c(O)c23)cc1O
Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1
COc1cc(C=Nn2c(n[nH]c2=S)-c2ccccc2)ccc1O |w:6.6|
Oc1ccc(CN=Nc2ccnc3cc(Cl)ccc23)cc1O |w:7.7|
COc1cc(C=Nn2c(n[nH]c2=S)-c2cc(C)[nH]n2)ccc1O |w:6.6|
Nc1cc(C(O)=O)c(N)c2C(=O)c3ccccc3C(=O)c12
CN(C)c1ccc(C=NNC(=O)c2ccoc2C)cc1
N(c1ccccc1)c1ccnc(Nc2ccccc2)n1
Nc1ccc(N)c2c(O)c3ccccc3c(O)c12
CC(C)(C)c1[nH]nc2-c3ccccc3C(=O)c12
c1ccc2c(c1)ccc(c2/C=N/c3ccc(cc3)O)O
NC(=S)c1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12
OC(=O)c1ccc(NNC2=c3ccccc3=NC2=O)cc1 |c:9,16|
O=C(N1CCOCC1)c1ccc2c3OCc4ccccc4-n3nc2c1
O=C(N1CCCCC1)c1ccc2c3OCc4ccccc4-n3nc2c1
COc1cc(ccc1O)C1c2sc(=O)[nH]c2Sc2c(O)n(c(O)c12)-c1ccc(C)cc1
OC(=O)c1ccc(cc1)N=Cc1c(O)ccc2oc3CCCCc3c12 |w:9.9|
COc1cc(C=C2SC(Nc3ccc(O)cc3)=NC2=O)ccc1O |w:5.4,c:17|
CCN1CCN(CC1)c1cc(C)c2cc(NC(=O)c3ccc(Br)o3)ccc2n1
COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1
COc1ccc(cc1)C1=CC2=C(Br)C(=O)C(C)(O)C(=O)C2=CO1 |c:11,22,t:9|
NC(=O)NN=Cc1c(O)ccc2oc3CCCCc3c12 |w:4.3|
CCc1ncc(C=C2C(=O)Nc3ccccc23)[nH]1 |w:6.5|
Cc1ncc(C=C2C(=O)Nc3ccccc23)[nH]1 |w:5.4|
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N(CCO)CCCO
OCCCNc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1
CC[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 |r|
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCCO)nc12
c1cc(ccc1CCC(=O)c2c(cc(cc2O)O)O)O
Nc1ccc(N=Nc2ccccc2O)c(N)c1 |w:5.4|
CCC(C(=O)Nc1ccc2[nH]ncc2c1)c1ccccc1
CC1CCN(CC1)C1=NC(=O)\C(S1)=C\c1ccc(O)cc1 |t:8|
COc1cc(C=C2SC(Nc3ccccc3OC)=NC2=O)ccc1O |w:5.4,c:18|
Oc1ccc(C=Nn2c(n[nH]c2=S)-c2ccccc2)cc1 |w:6.6|
CCOc1ccc(Nc2nc(N)c3ccccc3n2)cc1
COc1cccc(c1)C(=O)ON=C(N)c1ccccn1 |w:11.11|
Cc1ccc(C(=O)ON=C(N)c2ccccn2)c(Cl)c1 |w:8.7|
COc1ccc(CNc2nc3ccccc3s2)cc1OC
OC(=O)c1ccccc1NC(=O)c1cccc(c1)C(=O)Nc1ccccc1C(O)=O
CN(C(C)=O)c1ccc(cc1)N=Cc1c(O)ccc2ccccc12 |w:11.11|
Cc1cc(ccc1N=Cc1c(O)ccc2ccccc12)C(O)=O |w:7.7|
Nc1nc(cc(-c2ccccc2)c1[N+]([O-])=O)-c1cc(O)ccc1[N+]([O-])=O
COc1cc(C=C2SC(N)=NC2=O)ccc1O |w:5.4,c:9|
NS(=O)(=O)c1ccc-2c(c1)C(N=O)c1cc(ccc-21)S(N)(=O)=O
COc1cc(C=C2SC(Nc3ccc(Cl)c(c3)C(O)=O)=NC2=O)c(Br)c(Br)c1O |w:5.4,c:20|
COc1cc(C=Nn2c(n[nH]c2=S)C2CCCCC2)ccc1O |w:6.6|
CN1CCN(CC1)c1nc(nc2ccccc12)-c1ccccc1O
CCCCCCCCCCOC(=O)Cn1c(COc2ccc(Cl)cc2)[n+](C)c2ccccc12
CCCCCCCCCCC[N+](C)(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12
CCCCCCCCCC[N+](C)(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12
COc1ccc(cc1)-c1oc2ncnc(NCCCN(C)C)c2c1-c1ccc(OC)cc1
OCCN1CCN(CC1)c1nc(nc2ccccc12)-c1ccccc1O
CN1CCCC1CCNc1ccc2sc3ccccc3c(=O)c2c1
O=c1c2ccccc2sc2ccc(NCCCN3CCOCC3)cc12
CCOc1cc(\C=C2/SC(=NC2=O)N2CCCC(C)C2)ccc1O |c:9|
Cc1ccc(NC(=O)c2cccc(c2)C(=O)Nc2ccc(C)cc2C(O)=O)c(c1)C(O)=O
COc1ccc(cc1)-c1onc2ccc(cc12)C(=O)\C=C\N(C)C
CNC(=S)Nc1cccc(c1)-c1cnc2ccccc2n1
COc1cccc(c1)-c1onc2ccc(cc12)C(=O)\C=C\N(C)C
CN(C)\C=C\C(=O)c1ccc2noc(-c3cccc(F)c3)c2c1
CN(C)\C=C\C(=O)c1ccc2noc(-c3ccccc3)c2c1
OCCCNC(=O)c1cc2c3ccccc3[nH]c2c(n1)-c1ccccc1
Oc1ccc(Nc2nc(nc3ccccc23)-c2ccccc2O)cc1
COc1ccc(cc1)C(=O)ON=C(N)c1ccccc1 |w:11.11|
Cc1nc[nH]c1C(=O)NN=Cc1c(Cl)cccc1Cl |w:9.9|
COC(=O)c1ccc(COc2ccccc2\C=C\C(=O)c2ccc(OCC(O)=O)cc2)cc1
OC(=O)c1cc(ccc1Cl)N=NCc1c(O)ccc2ccccc12 |w:11.12|
C[C@H]1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1
COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1 |w:10.10|
CNC(=O)c1cnc2ccc(cc2c1O)S(=O)(=O)Nc1ccccc1F
OC(=O)c1ccc(NC(=O)c2cccc(n2)C(=O)Nc2ccc(cc2)C(O)=O)cc1
O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1cccs1
Cc1cc(O)ccc1NS(=O)(=O)c1ccc2NC(=O)c3cccc1c23
Fc1ccc(cc1)N1CCN(CCCNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)CC1 |t:25|
COc1ccc(cc1)C(=O)ON=C(N)c1ccccn1 |w:11.11|
CN1CCCC1CCNc1ccc2oc3ccccc3c(=O)c2c1
CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3NC(=O)c4cccc2c34)cc1
c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O
CC1CN(CCCNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)CCN1c1cccc(C)c1 |t:17|
CS(=O)(=O)Nc1ccc(cc1)-c1cc(C=C2SC(N)=NC2=O)c[nH]c1=O |w:14.14,c:19|
Cc1cc(no1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccc(O)cc1C(O)=O
O=c1c2ccccc2oc2ccc(NCCCN3CCOCC3)cc12
OC(=O)c1ccccc1NC(=O)c1cc(NC(=O)c2ccccc2)cc(c1)C(=O)Nc1ccccc1C(O)=O
CC(Oc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc31)C(=O)NCCN1CCOCC1
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
[O-][N+](=O)c1cc(ccc1N1CCOCC1)C(=O)Nc1nccs1
CC(N=Nc1ccnc2cc(Cl)ccc12)c1ccc(O)cc1 |w:3.3|
COc1ccc(OC)c(NC(=O)CSc2nc3[nH]c(=O)cc(O)c3s2)c1
c1cc(c2c(c1NCCNCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO
CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1
Oc1ccc(\C=C(/C#N)C(=O)c2ccc(O)c(O)c2)cc1O
c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
c1cc(c(cc1\C=C\c2cc(cc(c2)O)O)O)O
CCCCC(CC)CN=C(N)NC(N)=NCCCCCCN=C(N)NC(N)=NCC(CC)CCCC |w:27.27,8.7,14.14,21.20|
COc1ccc(O)c(c1)-c1nc(N)nc(N)n1
Nc1nc(N)nc(n1)-c1cc(O)ccc1O
CC(C)n1cnc2c(Nc3ccc(NC(=O)C=C)cc3)nc(NC3CCC(CC3)N(C)C)nc12 |(14.52,-3.79,;13.02,-3.47,;11.99,-4.62,;12.54,-2.01,;13.44,-.77,;12.54,.47,;11.08,,;9.75,.77,;9.75,2.31,;8.41,3.08,;8.41,4.62,;7.08,5.39,;5.75,4.62,;4.41,5.39,;4.41,6.93,;5.75,7.7,;3.08,7.7,;3.08,9.24,;5.75,3.08,;7.08,2.31,;8.41,,;8.41,-1.54,;7.08,-2.31,;7.08,-3.85,;5.75,-4.62,;5.75,-6.16,;7.08,-6.93,;8.41,-6.16,;8.41,-4.62,;7.08,-8.47,;5.75,-9.24,;8.41,-9.24,;9.75,-2.31,;11.08,-1.54,)|
CCN(CC)CCCCNc1ncc2CN(C(=O)N(Cc3ccc(NC(=O)C=C)cc3)c2n1)c1c(Cl)c(OC)cc(OC)c1Cl
CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Oc3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3F)c12
CCN1c2cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc2N(C2CCCC2)C(CC1=O)c1ccccc1
COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCC(O)CC3)c2n1)C(=O)NC1CCN(C)CC1 |(10.87,-5.35,;10.86,-3.81,;12.19,-3.03,;13.53,-3.8,;14.86,-3.02,;14.85,-1.48,;13.52,-.72,;12.19,-1.49,;10.85,-.73,;9.52,-1.5,;9.52,-3.11,;8.12,-3.9,;6.75,-3.07,;5.54,-4.03,;5.88,-5.54,;4.04,-3.69,;3.08,-4.9,;3.37,-2.3,;4.04,-.92,;5.54,-.57,;5.88,.93,;7.36,1.38,;7.7,2.88,;6.57,3.93,;6.91,5.43,;5.1,3.48,;4.76,1.97,;6.75,-1.53,;8.12,-.71,;16.2,-3.79,;16.2,-5.33,;17.53,-3.01,;18.86,-3.78,;18.87,-5.32,;20.21,-6.08,;21.54,-5.31,;22.87,-6.07,;21.53,-3.77,;20.19,-3,)|
CCC(CO)Oc1cc(NC(=O)Cc2ccccc2F)c2ncn(C(C)C)c2c1
c1cc(c(cc1O)O)/C=C/c2cc(cc(c2)O)O
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O |w:6.6,13.13|
OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Oc1ccc(cc1)[C@@H]1CCc2c(O)cc(O)c(c2O1)-c1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)cc1 |wU:7.7,(4.49,6.07,;4.49,4.53,;3.15,3.76,;3.14,2.22,;4.48,1.45,;5.81,2.21,;5.82,3.75,;4.47,-.09,;3.08,-.9,;3.09,-2.5,;4.49,-3.28,;4.49,-4.82,;3.16,-5.59,;5.83,-5.59,;7.16,-4.82,;8.49,-5.59,;7.16,-3.28,;5.83,-2.51,;5.85,-.91,;8.49,-2.51,;8.49,-.97,;9.83,-.2,;11.16,-.97,;12.54,-.15,;13.93,-.94,;15.26,-.16,;13.93,-2.54,;12.54,-3.33,;12.52,-4.87,;11.16,-2.51,;9.83,-3.28,;9.83,-4.82,;8.49,.57,;9.83,1.34,;9.83,2.88,;8.49,3.65,;8.49,5.19,;7.16,2.88,;7.16,1.34,)|
COc3cc(N2CCC(N1CCN(C)CC1)CC2)ccc3Nc4ncc6c(n4)n(C)c5sc(C)nc5c(=O)n6C
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C
Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
Fc1ccc(c(NC(=O)c2cccs2)c1)-c1nc2ccccc2[nH]c1=O
Clc1ccc(c(NC(=O)c2cccs2)c1)-c1nc2ccccc2[nH]c1=O
CC(C)c1ccc(NC(=O)c2cccs2)c(c1)-c1nc2ccccc2[nH]c1=O
FC(F)(F)Oc1ccc(NC(=O)c2cccs2)c(c1)-c1nc2ccccc2[nH]c1=O
COc1ccc(NC(=O)c2cccs2)c(c1)-c1nc2ccccc2[nH]c1=O
Fc1ccc(NC(=O)c2cccs2)c(c1)-c1nc2ccccc2[nH]c1=O
Clc1ccc(NC(=O)c2cccs2)c(c1)-c1nc2ccccc2[nH]c1=O
Cc1cc2nc(-c3ccccc3NC(=O)c3cccs3)c(=O)[nH]c2cc1C
Fc1cc2nc(-c3ccccc3NC(=O)c3cccs3)c(=O)[nH]c2cc1F
Clc1cc2nc(-c3ccccc3NC(=O)c3cccs3)c(=O)[nH]c2cc1Cl
O=c1[nH]c2ccccc2nc1-c1ccccc1NS(=O)(=O)c1ccccc1
O=c1[nH]c2ccccc2nc1-c1ccccc1NS(=O)(=O)c1cccs1
O=c1[nH]c2ccccc2nc1-c1ccccc1NCC1CC1
Fc1ccc(CNc2ccccc2-c2nc3ccccc3[nH]c2=O)cc1
O=c1[nH]c2ccccc2nc1-c1ccccc1NCc1ccccn1
O=c1[nH]c2ccccc2nc1-c1ccccc1NCc1ccccc1
O=c1[nH]c2ccccc2nc1-c1ccccc1NCc1cccs1
O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)C1CCCCC1
COc1ccc(cc1)C(=O)Nc1ccccc1-c1nc2ccccc2[nH]c1=O
Clc1ccc(cc1)C(=O)Nc1ccccc1-c1nc2ccccc2[nH]c1=O
Fc1ccc(cc1)C(=O)Nc1ccccc1-c1nc2ccccc2[nH]c1=O
O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1cccnc1
O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1ccccn1
O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1nccs1
Clc1ccc(s1)C(=O)Nc1ccccc1-c1nc2ccccc2[nH]c1=O
O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1ccccc1
CC(=O)NC[C@@H]1C[C@H](CN1)NS(=O)(=O)c1cccc2cncc(C)c12 |r|
COc1ccc(cc1)-n1ncc2ccc(Nc3ccc(N4CCN(C)CC4)c(OC)c3)nc12
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|
[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
COc1ccccc1C1=C(Nc2cccc(Cl)c2)C(=O)NC1=O |c:9|
Fc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
Clc1ccc(cc1)-c1ccncc1NC(=O)c1ccnc(NC(=O)C2CC2)c1
C[C@@H](C(F)(F)F)N(Cc1ccc(cc1)F)C(=O)CN2C(=O)[C@]3(CCc4c3ccc(c4)NC(=O)NC)OC2=O
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1
CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F |r|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC