SMILES for Steroid 21-hydroxylase

45 SMILES Strings for Steroid 21-hydroxylase

Compound Name

SMILES String

BDBM25458

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 |c:21,t:7|

BDBM50435990

C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4n5cnc6c5cccc6)C)O

BDBM50358201

CNC(=O)c1ccc2cc(ccc2c1)[C@]3(CCn4c3cnc4)O

BDBM314736

C[C@]12CC[C@@H](C[C@@H]1/C(=N/O)/C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)O

BDBM314738

C[C@]12CC[C@@H](CC1=C(C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)C#N)O

BDBM314739

C[C@]12CC[C@H]3[C@@H](CC(=C4C[C@@H](O)CC[C@]34C)[N+]([O-])=O)[C@@H]1CC=C2c1cccnc1 |r,c:24,t:7|

BDBM314740

C[C@]12CC[C@@H](CC1=C(C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)C(=O)N)O

BDBM50004442

CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3COC(O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl

BDBM31768

CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|

BDBM50004441

CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1

BDBM50092137

Cc1c(F)cncc1-c1nc2cc(F)c(F)cc2n1C1CC1

BDBM50092139

Fc1cncc(c1)-c1nc2cc(F)c(F)cc2n1C1CC1

BDBM50092142

CC(C)(O)c1cncc(c1)-c1nc2cc(F)c(F)cc2n1C1CC1

BDBM50092153

CC(C)(O)c1cncc(c1)-c1nc2ccc(F)cc2n1C1CC1

BDBM50391846

Cc1ccncc1-c1cccc2n(CC(F)(F)F)cnc12

BDBM50156282

[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)C1CC[C@@]1(C)C2CC=C1c1cccnc1 |r,c:22,t:3|

BDBM50203332

CCS(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|

BDBM50203334

Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)C2CCOCC2)O1 |r|

BDBM50203336

CC(C)S(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|

BDBM50203333

FC(F)S(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|

BDBM50203337

CS(=O)(=O)CS(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|

BDBM50203341

Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)c2cccs2)O1 |r|

BDBM50203338

CS(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|

BDBM50203339

Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)C2CC2)O1 |r|

BDBM50203331

COCCS(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|

BDBM50203342

Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)CC#N)O1 |r|

BDBM50203340

FC(F)(F)S(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|

BDBM50203335

Cn1ccnc1S(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|

BDBM50206961

Fc1ccc2nc(c(C3CC3)n2c1)-c1cncc(F)c1

BDBM50206959

Cc1c(F)cncc1-c1nc2ccc(F)cn2c1C1CC1

BDBM50206955

C[C@](O)(c1cncc(c1)-c1nc2ccc(F)cn2c1C1CC1)C(F)(F)F |r|

BDBM50206963

Fc1ccc2nc(c(C3CC3)n2c1)-c1cncc2ccccc12

BDBM50206975

CCc1c(F)cncc1-c1nc2ccc(F)cn2c1C1CC1

BDBM50249045

Cc1nn(-c2cncc(c2)[C@](C)(O)C(F)(F)F)c2ccccc12 |r|

BDBM50249048

Cc1nn(-c2cncc(c2)[C@@](C)(O)C(F)(F)F)c2ccccc12 |r|

BDBM50249046

C[C@](O)(c1cncc(c1)-n1nc(c2ccccc12)C(F)(F)F)C(F)(F)F |r|

BDBM50249044

CC(C)(O)c1cncc(c1)-n1ncc2c(cccc12)C(F)(F)F

BDBM50249047

Cc1nn(-c2cncc(c2)C(C)(C)O)c2cccc(F)c12

BDBM50405216

Nc1ncncc1-c1ccnc2n(ncc12)-c1ccc(F)cc1

BDBM50456363

[H][C@@]12C[C@@]11C[C@@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)C(=CC[C@@]3([H])[C@]1([H])C2)c1cccnc1 |r,c:19|

BDBM50456366

[H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C\C(=N\O)[C@@]2([H])C[C@@H](O)CC[C@]12C |r,t:3|

BDBM314732

C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 |r,c:22|

BDBM50216168

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C

BDBM314733

C[C@]12CC[C@H]3[C@@H](CC(=O)N[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1 |r,c:23|

BDBM50456365

[H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](O)[C@@]2([H])C[C@@H](O)CC[C@]12C |r,t:3|