SMILES for Sterol 14-alpha demethylase

105 SMILES Strings for Sterol 14-alpha demethylase

Compound Name

SMILES String

CC[C@H](c1ccccc1)C(=O)Nc2ccncc2

O=C(Nc1ccncc1)C1c2ccccc2Oc2ccccc12

CC1CCC(CC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |wD:10.10,(-12.38,-2.68,;-10.84,-2.68,;-10.07,-1.35,;-8.53,-1.35,;-7.76,-2.68,;-8.53,-4.01,;-10.07,-4.01,;-6.22,-2.68,;-5.45,-4.01,;-5.45,-1.35,;-3.91,-1.35,;-3.14,-.01,;-1.6,-.01,;-.69,-1.26,;.77,-.78,;.77,.76,;1.92,1.79,;1.6,3.3,;.13,3.77,;-1.01,2.74,;-.69,1.23,;-3.14,-2.68,;-3.91,-4.01,;-1.6,-2.68,;-.83,-4.01,;.71,-4.01,;1.48,-5.35,;.71,-6.68,;-.83,-6.68,;-1.6,-5.35,)|

BDBM22962

COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3cccnc3)c2c1

BDBM29343

COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3cccnc3C)c2c1

BDBM29344

COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCc3ccncc3)c2c1

BDBM29345

COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NC(C)c3ccncc3)c2c1

BDBM29346

COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3ccccn3)c2c1

BDBM29347

COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCc3ccc(nc3)C(F)(F)F)c2c1

BDBM29348

COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCc3ccc(Cl)nc3)c2c1

BDBM29349

COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCc3cccnc3)c2c1

BDBM29350

COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCc3cccc(Cl)c3)c2c1

BDBM29351

COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCC(C)c3ccccc3)c2c1

BDBM81297

Clc1ccc(cc1)C(CNC(=O)c1ccccc1)(c1ccc(Cl)cc1)n1ccnc1

BDBM81310

Clc1ccc(C(Cn2ccnc2)NC(=O)c2nnc(o2)-c2ccccc2)c(Cl)c1

BDBM81299

Clc1ccc(cc1)-c1ccc(cc1)C(=O)NC(Cn1ccnc1)c1ccccc1

BDBM81300

O=C(NCC(c1ccccc1)n1ccnc1)c1cnc[nH]1

BDBM81301

O=C(NCC(c1ccccc1)n1ccnc1)c1cccc2c3ccccc3oc12

BDBM81302

O=C(NCC(c1ccccc1)n1ccnc1)c1ccc2sc3ccccc3c(=O)c2c1

BDBM81303

Clc1ccc(cc1)-c1cc(cs1)C(=O)NCC(c1ccccc1)n1ccnc1

BDBM81304

COc1cccc(Sc2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)c1

BDBM81305

O=C(NCC(c1ccccc1)n1ccnc1)c1cccc(Sc2ccccc2)c1

BDBM81306

COc1ccc(CC(CNC(=O)c2ccc(cc2)-c2ccc(Cl)cc2)n2ccnc2)cc1

BDBM8610

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

BDBM25817

c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O

BDBM50214606

Clc1ccc(cc1)-c1ccc(cc1)C(=O)NCC(c1ccccc1)n1ccnc1 |w:17.18|

BDBM81307

Clc1ccc(cc1)-c1ccc(cc1)C(=O)NC(C[NH+]1C=CN=C1)c1ccc(Cl)cn1 |c:21,23|

BDBM81308

Clc1ccc(cc1)-c1ccc(cc1)C(=O)NC(Cn1ccnc1)c1ccc(Cl)cn1

BDBM81309

CCCCOc1ccc(cc1)-c1ccc(cc1)C(=O)NC(Cn1ccnc1)c1ccc(Cl)cn1

BDBM213823

c1cc(cnc1)[C@H](c2ccc(cc2)Cl)C(=O)N3CCN(CC3)c4ccc(cc4)C(F)(F)F

BDBM213822

c1cc(cnc1)N(c2ccc(cc2)C(F)(F)F)C3CCN(CC3)c4ccc(cn4)C(F)(F)F

BDBM213824

CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OCC3CO[C@](Cn4cncn4)(C3)c3ccc(F)cc3F)cc2)c1=O

BDBM213825

Clc1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2)c(Cl)c1 |r|

BDBM50181473

CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@@H]3CO[C@](Cn4cncn4)(C3)c3ccc(F)cc3F)cc2)c1=O |r|

BDBM50458303

C[C@@H]1S[C@@H](c2c(C)n[nH]c2NC1=O)c1ccc(OCc2ccccc2Cl)cc1 |r|

BDBM50463655

COc1cc(OC)cc(c1)C(=O)Nc1ccc(Nc2nc(C)cc(n2)N(C)C)cc1

BDBM50465948

Fc1ccc(cc1)-c1ccc([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2)c(F)c1 |r|

BDBM50465949

Fc1ccc(cc1)-c1cc(F)c([C@H](Cn2ccnc2)NC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2)c(F)c1 |r|

BDBM50276214

Fc1ccc(cc1F)-c1nnc(o1)-c1ccc(cc1)C(=O)N[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl |r|

BDBM50480089

Nc1cc(ccc1Cn1cncc1CNc1ccc(-c2nc3ccccc3s2)c(c1)-c1ccccc1)-c1ccccc1

BDBM50480090

Nc1cc(ccc1Cn1cncc1CNc1ccc(Cl)c(c1)-c1ccccc1)-c1ccccc1

BDBM50493521

Fc1cc(ccc1-c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r|

BDBM50493522

Fc1ccc(Br)cc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r|

BDBM50493523

Clc1ccccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r|

BDBM50493524

COc1ccc(CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)cc1 |r|

BDBM50493525

FC1(F)CCC(CC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r|

BDBM50493526

O=C(Nc1ccncc1)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCCCC1 |r|

BDBM50493527

Fc1cc(ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)N1CCN(CC1)S(=O)(=O)c1ccccc1 |r|

BDBM50493528

Fc1cc(Nc2ccccc2)ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r|

BDBM50493529

Fc1cc(ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)C#Cc1ccccc1 |r|

BDBM50493530

Oc1ccc(cc1F)-c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)c(F)c1 |r|

BDBM50493531

COc1ccc(cc1F)-c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)c(F)c1 |r|

BDBM50493532

Fc1ccc(cc1F)-c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)c(F)c1 |r|

BDBM50493533

Fc1cc(ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)-c1ccc(Cl)cc1 |r|

BDBM50493534

Fc1ccc(F)c(c1)-c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)c(F)c1 |r|

BDBM50493535

Fc1cccc(c1)-c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)c(F)c1 |r|

BDBM50493536

O=C(Nc1ccncc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(c1)-c1ccccc1 |r|

BDBM50493537

Fc1c(ccc2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r|

BDBM50493538

FC(F)(F)c1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r|

BDBM50493539

O=C(Nc1ccncc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccc(Oc2ccccc2)c1 |r|

BDBM50493540

O=C(Nc1ccncc1)[C@H](Cc1c[nH]c2ccc(OCc3ccccc3)cc12)NC(=O)C1CCCCC1 |r|

BDBM50493541

O=C(Cc1ccccc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r|

BDBM50493542

Cn1cc(C[C@H](NC(=O)C2CCCCC2)C(=O)Nc2ccncc2)c2ccccc12 |r|

BDBM50493543

Fc1ccc(CCCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)cc1 |r|

BDBM50493544

FC(F)(F)c1ccc(CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)cc1 |r|

BDBM50493545

CC(C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccncc1 |r,wD:3.2,(20.24,-15.43,;18.91,-16.2,;17.58,-15.44,;18.92,-17.74,;20.25,-18.5,;21.58,-17.73,;21.58,-16.19,;22.92,-18.49,;24.25,-17.72,;25.58,-18.49,;25.58,-20.03,;26.92,-20.8,;24.25,-20.8,;22.92,-20.03,;17.59,-18.51,;17.59,-20.05,;16.25,-17.75,;14.92,-18.52,;13.58,-17.76,;12.25,-18.53,;12.25,-20.07,;13.58,-20.85,;14.92,-20.07,)|

BDBM50493546

Fc1cc(Br)ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r|

BDBM50493547

Oc1ccc2[nH]cc(C[C@H](NC(=O)C3CCCCC3)C(=O)Nc3ccncc3)c2c1 |r|

BDBM50493548

O=C(Nc1ccncc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 |r|

BDBM50493549

O=C(Nc1ccncc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 |r|

BDBM50493550

O=C(CCCc1ccccc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r|

BDBM50493551

Fc1ccc(F)c(c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r|

BDBM50493552

Fc1cc(ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)-c1ccccc1 |r|

BDBM50493553

Fc1ccccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r|

BDBM50493554

Fc1cc(ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)N1CCNCC1

BDBM50493555

Fc1ccc(cc1)-c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)c(F)c1 |r|

BDBM50493556

CSCC[C@H](NC(=O)C1CCC(C)CC1)C(=O)Nc1ccncc1 |r,wD:4.3,(21.56,-13.12,;20.23,-13.9,;20.24,-15.43,;18.91,-16.2,;18.92,-17.74,;20.25,-18.5,;21.58,-17.73,;21.58,-16.19,;22.92,-18.49,;24.25,-17.72,;25.58,-18.49,;25.58,-20.03,;26.92,-20.8,;24.25,-20.8,;22.92,-20.03,;17.59,-18.51,;17.59,-20.05,;16.25,-17.75,;14.92,-18.52,;13.58,-17.76,;12.25,-18.53,;12.25,-20.07,;13.58,-20.85,;14.92,-20.07,)|

BDBM50493557

Brc1ccc2cc(ccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r|

BDBM50493558

COc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r|

BDBM50493559

O=C(Nc1ccncc1)[C@H](Cc1cccc2ccccc12)NC(=O)C1CCCCC1 |r|

BDBM50493560

Fc1cc(\C=C\c2ccc(Cl)cc2)ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 |r|

BDBM50493561

Fc1cc(ccc1OCc1ccccc1)-c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccncc2)c(F)c1 |r|

BDBM50493562

Fc1cc(ccc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)-c1cccc(Cl)c1 |r|