43 SMILES Strings for C-8 sterol isomerase ERG2

Compound Name
SMILES String
OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc23)CC1 |c:18|
CC(C)CCCC(C)CCCC(C)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1
CCN(CC)CCOc1ccc(cc1)C(=C(/Cl)c1ccccc1)\c1ccccc1
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C2=C1C |r,c:33,t:18|
OC(=O)c1ccc(CCN2CCN(C\C=C\c3ccc(Cl)cc3)CC2)cc1
CN(C\C=C\c1ccccc1)Cc1cccc2ccccc12
CC(C)[C@@](CCCN(C)CCc1ccccc1)(C#N)c1ccccc1
CCCN1CCC[C@@H](C1)c1cccc(O)c1
OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1cccc(c1)C(F)(F)F
C[C@H]([C@@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1 |r|
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C
CCN(CC)CCOc1ccc(cc1)C(\CC)=C(/CC)c1ccc(OCCN(CC)CC)cc1
CCCCCCCCCCCCC(CCCN(C)CCc1ccccc1)(C#N)c1ccccc1
CCCCCCCOc1ccccc1NC(=O)OC(C)CN(CC)CC
CC(CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C |r|
CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F
Clc1ccccc1CNC[C@H]1CC[C@H](CCNc2ccccc2Cl)CC1 |wU:10.10,wD:13.14,(3.57,-2.64,;3.57,-1.1,;2.24,-.33,;2.24,1.21,;3.57,2,;4.91,1.23,;4.91,-.33,;6.24,-1.1,;7.57,-.31,;8.91,-1.08,;10.24,-.31,;10.24,1.21,;11.58,1.98,;12.91,1.21,;14.24,1.98,;15.59,1.21,;16.92,1.98,;18.25,1.21,;18.23,-.33,;19.56,-1.1,;20.91,-.33,;20.91,1.21,;19.58,1.98,;19.58,3.52,;12.91,-.33,;11.58,-1.1,)|
N=C(NCCSC(c1ccccc1)c1ccccc1)NCCc1cnc[nH]1
CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3
CCN(CC)CCOc1ccc(cc1)/C(=C(\c2ccccc2)/Cl)/c3ccccc3
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@@]2(C)O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C |c:33,t:19|
COc1ccc2C(=C(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1 |c:6|
CCN(CC)CCOc1ccc(cc1)C(O)(Cc1ccc(Cl)cc1)c1ccc(C)cc1
Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|
CCCCCCCCCCCCCN1C[C@H](C)O[C@H](C)C1
COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:10|
CCN(C\C=C\c1ccc(C2CCCCC2)c(Cl)c1)C1CCCCC1
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO |r,t:9|
C[C@@H]1C2CC[C@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 |t:15|
C[C@@H]1C2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14|
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
NC(NCc1ccccc1)=Nc1nc(cs1)-c1cc2ccccc2[nH]1 |w:10.11|
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]11CCC(C)CN1
CN(C1CCN(CCCCOc2ccccc2)C1)c1nc2ccccc2s1
CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCN(CC)CC)I
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CCC(C)CN1 |t:8|
CC(C)[C@](CCCN(C)CCc1ccccc1)(C#N)c1ccccc1
CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12
CCN(CC)CCO[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)C
[H][C@@]1([#6])[#6]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |TLB:2:1:11.5.4:16.14.15,17:16:1:11.5.4,10:11:1:16.14.15|
CCCCN1CCC2(CCCc3ccccc23)CC1