70 SMILES Strings for Dihydroorotate dehydrogenase (fumarate)

Compound Name
SMILES String
CCCNC(=O)c1ccc(s1)-n1c(C)cc2ccccc12
Cc1ccccc1C=Cc1cc(O)c2ccccc2n1 |w:7.7|
CCCCCC1CCCc2c(O)c3ccccc3nc12
Fc1cc(I)ccc1Nc1ccnc2cc(Cl)ccc12
O=C(NC1CC1)c1ccc(s1)N1CCSc2ccccc12
CCOC(=O)c1[nH]c(C)c(Cc2ccc(OCC)cc2)c1C
Clc1ccc(cc1)[C@H]1CC[C@@H](CC1)C1C(=O)C(=O)c2ccccc2C1=O |r,wU:7.7,wD:10.14,(15.73,-5.45,;14.39,-6.22,;14.39,-7.76,;13.06,-8.53,;11.71,-7.75,;11.71,-6.23,;13.05,-5.45,;10.38,-8.52,;10.38,-10.06,;9.05,-10.83,;7.71,-10.05,;7.71,-8.53,;9.04,-7.76,;6.35,-10.84,;6.35,-12.37,;7.7,-13.16,;5.03,-13.14,;5.03,-14.7,;3.67,-12.36,;2.35,-13.13,;1.02,-12.36,;1.02,-10.81,;2.29,-10.08,;3.66,-10.88,;5.05,-10.07,;5.05,-8.52,)|
c1ccc(cc1)C2=CC(=O)c3ccccc3O2
CC(=C)[C@H]1Cc2c(ccc3c2O[C@@H]4COc5cc(c(cc5[C@@H]4C3=O)OC)OC)O1
[I+](c1ccccc1)c1ccccc1
[I+]1c2ccccc2-c2ccccc12
CCCCCCCCCCCCc1cc(=O)c2ccccc2n1O
CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)CC(C)C
[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@]4(C)OO[C@@]13[C@]([H])(OC(=O)[C@@H]2C)O4
[H][C@]12CCC(=C)[C@@H](CC\C(C)=C\C(O)=O)[C@]1(C)CCC[C@@]2(C)C(O)=O |r|
c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O
O[C@H]1CC[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O |r|
O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@H](C)CC[C@@H](CC)C(C)C |r,t:9|
CC(C)C(=O)O[C@@H]1C[C@@](C)(O)\C=C\C(=O)\C(C)=C/[C@H]2OC(=O)C(=C)[C@H]12 |r,c:16,t:11|
[H][C@]12C[C@@]3(C)OC(=CC3=O)\C(COC(C)=O)=C/[C@@]3([H])OC(=O)[C@@](C)([C@]13[H])[C@](O)(O2)[C@H](C)CC |r,c:6,16|
c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
c1cc(c(cc1C(=O)O)O)O
O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|
CC(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@](O)(C[C@@H]2O)[C@@H](C)C[C@H]2OC(=O)C(=C)[C@H]12 |r|
c1cc2c(cc1O)OC(=O)C=C2
[H][C@@]12C[C@H](C)C3=CC(=O)[C@@](C)(C[C@H](OC(=O)C(C)=C)[C@@]1([H])C(=C)C(=O)O2)O3 |r,t:5|
[H][C@]12O[C@]1(C)CCC(=O)[C@@](C)(C[C@H](OC(C)=O)C1=C(COC(C)=O)C(=O)O[C@]21[H])OC(C)=O |r,c:18|
[H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(OC(=O)[C@@H]2C)O4 |r|
COc1ccc(\C=C\C(=O)NC2CCCN2C(N)=N)cc1O
[H][C@@]12CC[C@](C)(C=C)C=C1CC[C@]1([H])C(C)(C)CCC[C@@]21C |r,c:8|
[H][C@@]12CCC(=C)[C@H](CC\C(C)=C\C(=O)OC)[C@@]1(C)CC[C@@H](C2)OC(C)=O |r|
c1ccc(cc1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
c1ccc(c(c1)\C=C\C(=O)O)O
O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H]1O)C(O)=O |r|
C[C@](OC(=O)\C=C\c1ccc(O)c(O)c1)([C@@H](O)CO)C(O)=O |r|
C\C=C(/C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)\C(CO)=C/[C@H]2OC(=O)C(=C)[C@H]12 |c:12,19|
[H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](CC(C)=C1C(=O)C=C(C)[C@]21[H])OC(=O)C(\C)=C\C |r,t:13,17|
[H][C@]12O[C@]1(C)C\C=C(/[C@H](OC(C)=O)[C@@H](OC(=O)[C@]1(C)O[C@@H]1C)[C@@]1([H])C(=C)C(=O)O[C@]21[H])C(=O)OC |r,c:7|
CC[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@@H]1C[C@@H]4c5cc(c(cc5CCN4)OC)OC)OC)OC
C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)C4)(C)C(=O)O
[H][C@@]12CC[C@](C)(C=C)C=C1CC[C@]1([H])[C@](C)(CCC[C@@]21C)C(O)=O |r,c:8|
[H][C@]12C[C@@]3(CC[C@]4([H])[C@@](C)(CCC[C@@]4(C)[C@]3([H])CC1)C(O)=O)[C@@H](OC(=O)\C=C\c1ccccc1)C2=C |r|
[H][C@]12CCC(=C)[C@@H](CCc3ccoc3)[C@]1(C)CCC[C@@]2(C)C(O)=O |r|
COc1ccc(cc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O
COc1ccc(cc1)-c1oc2cc(O)c(OC)c(O)c2c(=O)c1OC
COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(OC)c(OC)c1
O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
OC[C@H]1O[C@@H](Oc2ccc(cc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O)[C@H](O)[C@@H](O)[C@@H]1O
COc1cc(ccc1O)\C=C\C(=O)O
c1cc(c(cc1\C=C\C(=O)O)O)O
OC1[C@@H](CC(O)(C[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)OC(=O)\C=C\c1ccc(O)c(O)c1 |r,wU:7.8,wD:2.25,(59.75,-40.77,;59.75,-39.23,;58.42,-38.47,;58.42,-36.93,;59.74,-36.15,;58.97,-34.81,;61.08,-36.93,;61.08,-38.47,;62.41,-39.24,;63.75,-38.47,;63.75,-36.93,;65.08,-39.25,;66.41,-38.48,;67.75,-39.25,;69.07,-38.48,;70.4,-39.25,;70.41,-40.79,;71.74,-41.56,;69.07,-41.56,;69.07,-43.1,;67.74,-40.79,;60.51,-34.81,;62.06,-34.8,;59.73,-33.47,;57.09,-39.24,;55.75,-38.47,;55.75,-36.93,;54.42,-39.25,;53.09,-38.48,;51.75,-39.25,;50.42,-38.48,;49.09,-39.25,;49.09,-40.79,;47.76,-41.56,;50.43,-41.56,;50.44,-43.1,;51.76,-40.78,)|
[H][C@@]1(O[C@H]2[C@H](O)[C@@H](O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]([H])(O[C@H]3CC[C@@]4(C)[C@@]([H])(CC[C@]5(C)[C@]4([H])CC=C4[C@]6([H])CC(C)(C)[C@@H](OC(=O)C(\C)=C/C)[C@H](OC(C)=O)[C@]6(CO)[C@H](O)C[C@@]54C)[C@@]3(C)CO)O[C@@H]2C(O)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:39|
[H][C@]12C[C@@]3(C)OC(=CC3=O)\C(CO)=C/[C@@]3([H])OC(=O)[C@@](C)([C@]13[H])[C@](O)(O2)[C@H](C)CC |r,c:6,13|
[H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](CC(C)=C1C(=O)C=C(C)[C@]21[H])OC(=O)[C@]1(C)O[C@@H]1C |t:13,17|
[H][C@]12OC(=O)C(=C)[C@]1([H])[C@H](CC(C)=CCC\C(CO)=C\2)OC(=O)C(=C)[C@@H](O)CO |r,t:19|
[H][C@]12OC(=O)C(=C)[C@]1([H])[C@H](OC(=O)C(\C)=C/C)[C@H](O)\C(C=O)=C/CC\C(C)=C\2 |r,c:22,t:27|
[H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C[C@@](C)(O)[C@]1([H])C(=O)C=C(C)[C@]21[H])OC(=O)C(C)=C |t:19|
[H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C[C@](C)(O)[C@]1([H])C(=O)C=C(C)[C@]21[H])OC(=O)C(C)=C |t:19|
[H][C@@]12O[C@@]1([H])[C@](C)(O)C[C@@H](OC(=O)C(C)C)[C@@]1([H])C(=C)C(=O)O[C@]1([H])\C=C(C)/C2=O |r,t:27|
[H][C@]12OC(=O)C(=C)[C@]1([H])[C@H](C[C@@]1(C)OC(=CC1=O)\C(C)=C/2)OC(=O)C(C)=C |r,c:15,21|
[H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C[C@@]1(C)OC(=CC1=O)\C(CO)=C/2)OC(=O)C(\C)=C/C |r,c:15,22|
[H][C@]12C[C@H](C[C@]([H])([C@H]3O[C@@H]13)N2C)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:12:3:7.9:10,THB:8:7:10:4.2.3,8:9:10:4.2.3|
[H][C@]12C[C@@]3(C)OC(=CC3=O)\C(C)=C/[C@@]3([H])OC(=O)[C@@](C)([C@]13[H])[C@](O)(O2)C(\C)=C/C |r,c:6,12|
CC(=C)C(=O)O[C@H]1C[C@@]2(C)OC(=CC2=O)\C(CO)=C/[C@H]2OC(=O)C(=C)[C@H]12 |c:11,18|
[H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C[C@@]1(C)OC(=CC1=O)\C(C)=C/2)OC(=O)C(\C)=C\C |c:15,21|
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O
c1ccc(cc1)\C=C\C(=O)O
c1ccc2c(c1)C=CC(=O)O2