SMILES for [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial

117 SMILES Strings for [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1,/2,/3,/4, mitochondrial

Compound Name

SMILES String

BDBM50472673

CC(=O)c1cccc(NC(=O)C(C)(O)C(F)(F)F)c1

BDBM50472702

CC(=O)c1ccccc1NC(=O)C(C)(O)C(F)(F)F

BDBM50472676

CC(C)(C)CCNS(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1

BDBM50472695

CC(C)(C)c1ccc(NC(=O)C(C)(O)C(F)(F)F)cc1

BDBM50472688

CC(C)(O)C(=O)Nc1ccc(cc1Cl)S(=O)(=O)N1CCNCC1

BDBM50472675

CC(C)CNS(=O)(=O)c1ccc(NC(=O)C(C)(C)O)c(Cl)c1

BDBM50472647

CC(C)CNS(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1

BDBM50472719

CC(O)(C(=O)Nc1c(Cl)cccc1Cl)C(F)(F)F

BDBM50472700

CC(O)(C(=O)Nc1cc(Cl)ccc1Cl)C(F)(F)F

BDBM50472687

CC(O)(C(=O)Nc1cc(ccc1Cl)[N+]([O-])=O)C(F)(F)F

BDBM50472686

CC(O)(C(=O)Nc1ccc(Cl)cc1)C(F)(F)F

BDBM50472650

CC(O)(C(=O)Nc1ccc(Cl)cc1Cl)C(F)(F)F

BDBM50472672

CC(O)(C(=O)Nc1ccc(O)cc1Cl)C(F)(F)F

BDBM50472657

CC(O)(C(=O)Nc1ccc(Oc2ccccc2)cc1)C(F)(F)F

BDBM50472711

CC(O)(C(=O)Nc1ccc(cc1)C(=O)c1ccccc1)C(F)(F)F

BDBM50472689

CC(O)(C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)C(F)(F)F

BDBM50472696

CC(O)(C(=O)Nc1ccc(cc1)S(N)(=O)=O)C(F)(F)F

BDBM50472701

CC(O)(C(=O)Nc1ccc(cc1Cl)C#N)C(F)(F)F

BDBM50472714

CC(O)(C(=O)Nc1ccc(cc1Cl)C(=O)N1CCCCC1)C(F)(F)F

BDBM50472660

CC(O)(C(=O)Nc1ccc(cc1Cl)C(=O)c1ccccc1)C(F)(F)F

BDBM50472707

CC(O)(C(=O)Nc1ccc(cc1Cl)S(F)(=O)=O)C(F)(F)F

BDBM50472678

CC(O)(C(=O)Nc1cccc(C(=O)N2CCCCC2)c1Cl)C(F)(F)F

BDBM50472653

CC(O)(C(=O)Nc1cccc(C(=O)c2ccccc2)c1Cl)C(F)(F)F

BDBM50472709

CC(O)(C(=O)Nc1cccc(C(O)=O)c1Cl)C(F)(F)F

BDBM50472645

CC(O)(C(=O)Nc1cccc(CO)c1)C(F)(F)F

BDBM50472685

CC(O)(C(=O)Nc1cccc(Cl)c1Cl)C(F)(F)F

BDBM50472677

CC(O)(C(=O)Nc1cccc(OCc2ccccc2)c1)C(F)(F)F

BDBM50472636

CC(O)(C(=O)Nc1cccc(c1)C#N)C(F)(F)F

BDBM50472703

CC(O)(C(=O)Nc1cccc(c1)C(=O)c1ccccc1)C(F)(F)F

BDBM50472666

CC(O)(C(=O)Nc1cccc(c1)[N+]([O-])=O)C(F)(F)F

BDBM50472642

CC(O)(C(=O)Nc1ccccc1)C(F)(F)F

BDBM50472659

CC(O)(C(=O)Nc1ccccc1Br)C(F)(F)F

BDBM50472669

CC(O)(C(=O)Nc1ccccc1C#N)C(F)(F)F

BDBM50472680

CC(O)(C(=O)Nc1ccccc1C(=O)c1ccccc1)C(F)(F)F

BDBM50472682

CC(O)(C(=O)Nc1ccccc1CO)C(F)(F)F

BDBM50472646

CC(O)(C(=O)Nc1ccccc1Cl)C(F)(F)F

BDBM50472656

CC(O)(C(=O)Nc1ccccc1F)C(F)(F)F

BDBM50472679

CC(O)(C(=O)Nc1ccccc1[N+]([O-])=O)C(F)(F)F

BDBM50472717

CCCCCCCCCCNS(=O)(=O)c1ccc(NC(=O)C(C)(C)O)c(Cl)c1

BDBM50472665

CCCCCCCCCCNS(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1

BDBM50472712

CCCCCCNC(=O)c1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1

BDBM50472690

CCCCCCNC(=O)c1cccc(NC(=O)C(C)(O)C(F)(F)F)c1Cl

BDBM50472661

CCN(CC)CCCNS(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1

BDBM50472635

CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1

BDBM50472638

CCOC(=O)c1ccc(NC(=O)C(C)(O)C(F)(F)F)cc1

BDBM50472692

CCOCCCNS(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1

BDBM50472637

CN(C)CCNS(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1

BDBM50472693

CN(CCCO)C(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1

BDBM50472684

COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(C)C(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1

BDBM50472644

COC(=O)c1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1

BDBM50472312

COC(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1

BDBM50472698

COC(=O)c1cccc(NC(=O)C(C)(O)C(F)(F)F)c1Cl

BDBM50472667

COc1cc(CNS(=O)(=O)c2ccc(NC(=O)C(C)(C)O)c(Cl)c2)cc(OC)c1OC

BDBM50472651

COc1cc(CNS(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc(OC)c1OC

BDBM50472705

COc1cc(NC(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc(OC)c1OC

BDBM50472681

COc1ccc(NC(=O)C(C)(O)C(F)(F)F)cc1

BDBM50472664

COc1cccc(NC(=O)C(C)(O)C(F)(F)F)c1

BDBM50472691

COc1ccccc1NC(=O)C(C)(O)C(F)(F)F

BDBM50472310

C[C@@H]1CN(CCN1C(=O)OCc1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F

BDBM50472318

C[C@@H]1CN(CCN1C(=O)c1ccc(cc1)C#N)C(=O)[C@@](C)(O)C(F)(F)F

BDBM50236533

C[C@@H]1CN([C@@H](C)CN1C(=O)c1ccc(cc1)C#N)C(=O)[C@@](C)(O)C(F)(F)F |r|

BDBM50472316

C[C@@H]1CN([C@@H](C)CN1Cc1ccccc1)C(=O)[C@@](C)(O)C(F)(F)F

BDBM50472317

C[C@@](O)(C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)C#N)C(F)(F)F

BDBM50472322

C[C@@](O)(C(=O)NC1CCCCC1)C(F)(F)F

BDBM50472319

C[C@@](O)(C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1)C(F)(F)F

BDBM50472320

C[C@@](O)(C(=O)Nc1ccc(cc1Cl)C(=O)N1CCCCC1)C(F)(F)F

BDBM50472649

C[C@@](O)(C(=O)Nc1ccc(cc1Cl)C(=O)N1CCN(CC1)c1ccccn1)C(F)(F)F

BDBM50472658

C[C@@](O)(C(=O)Nc1ccc(cc1Cl)C(=O)N1CCOCC1)C(F)(F)F

BDBM50472708

C[C@@](O)(C(=O)Nc1ccc(cc1Cl)C(=O)NCC1CCCO1)C(F)(F)F

BDBM50472710

C[C@@](O)(C(=O)Nc1ccc(cc1Cl)C(=O)NCCCO)C(F)(F)F

BDBM50472634

C[C@@](O)(C(=O)Nc1ccc(cc1Cl)C(=O)N[C@@H](CCc1ccccc1)C(O)=O)C(F)(F)F

BDBM50472662

C[C@@](O)(C(=O)Nc1ccc(cc1Cl)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(O)=O)C(F)(F)F

BDBM50472311

C[C@@](O)(C(=O)Nc1ccc(cc1Cl)C(=O)c1ccccc1)C(F)(F)F

BDBM50472313

C[C@@](O)(C(=O)Nc1ccc(cc1Cl)C(O)=O)C(F)(F)F

BDBM50472718

C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)N1CCC(N)C1)C(F)(F)F

BDBM50472641

C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)N1CCN(CC1)c1ccccn1)C(F)(F)F

BDBM50472314

C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)N1CCNCC1)C(F)(F)F

BDBM50472648

C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NC1CCCC(N)C1)C(F)(F)F

BDBM50472643

C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NC1CCCCC1C1CCCCC1)C(F)(F)F

BDBM50472652

C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NC1CCCCCCCCCCC1)C(F)(F)F

BDBM50472704

C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NC1CCN(Cc2ccccc2)CC1)C(F)(F)F

BDBM50472713

C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NCC1CC1)C(F)(F)F

BDBM50472668

C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NCC=C)C(F)(F)F

BDBM50472654

C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NCCCN1CCCC1=O)C(F)(F)F

BDBM50472699

C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NCCCO)C(F)(F)F

BDBM50472663

C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NCCN1CCCC1)C(F)(F)F

BDBM50472670

C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NCCN1CCOCC1)C(F)(F)F

BDBM50472633

C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NCCc1ccc(F)cc1)C(F)(F)F

BDBM50472697

C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NCc1ccccn1)C(F)(F)F

BDBM50472640

C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NCc1cccnc1)C(F)(F)F

BDBM50472671

C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(=O)(=O)NS(=O)(=O)c1ccc(CCN)cc1)C(F)(F)F

BDBM50472694

C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(C)(=O)=O)C(F)(F)F

BDBM50472315

C[C@@](O)(C(=O)Nc1ccc(cc1Cl)S(F)(=O)=O)C(F)(F)F

BDBM50472309

C[C@@](O)(C(=O)Nc1ccccc1)C(F)(F)F

BDBM50472308

C[C@@](O)(C(=O)Nc1ccccc1Cl)C(F)(F)F

BDBM50472323

C[C@](O)(C(=O)NC1CCCCC1)C(F)(F)F

BDBM86249

C[C@](O)(C(=O)Nc1ccc(cc1)C(=O)c1ccccc1)C(F)(F)F

BDBM50472321

C[C@](O)(C(=O)Nc1ccccc1Cl)C(F)(F)F

BDBM50080092

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O |r,t:8|

BDBM50472716

Cc1ccc(Cl)c(NC(=O)C(C)(O)C(F)(F)F)c1

BDBM50472706

Cc1cccc(Cl)c1NC(=O)C(C)(O)C(F)(F)F

BDBM50472683

Cc1ccccc1NC(=O)C(C)(O)C(F)(F)F

BDBM227588

OC(=O)C(Cl)Cl

BDBM50217005

[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/O |c:20|

BDBM50217006

[H][C@@]12CC[C@@](O)(C=C=C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/O |c:21|

BDBM50217001

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C\C(CC[C@]12C)=N\O

BDBM50217004

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C\C(CC[C@]12C)=N\O

BDBM50217002

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/CC(O)=O |c:18|

BDBM50217000

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/O |c:18|

BDBM50217007

[H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(C)CN)C(C)C

BDBM50217003

[H][C@]12CCC(=CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C(N)=O)C(C)C |c:4,7|

BDBM50442901

[H][C@]12CCC(=CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C(O)=O)C(C)C |r,c:4,7|

BDBM50177027

[Na+].[O-]C(=O)C(Cl)Cl

BDBM50472639

[Na;v0+].[#6]-[#6@H](-[#7](-[#6])-[#6](=O)-c1ccc(-[#7]-[#6](=O)[C@@]([#6])([#8])C(F)(F)F)c(Cl)c1)-[#6](-[#8-])=O |r|

BDBM50472655

[Na;v0+].[#6]-[#6](-[#6])-[#6@H](-[#7](-[#6])-[#6](=O)-c1ccc(-[#7]-[#6](=O)[C@@]([#6])([#8])C(F)(F)F)c(Cl)c1)-[#6](-[#8-])=O |r|

BDBM50472674

[Na;v0+].[#6][C@@]([#8])([#6](=O)-[#7]-c1ccc(cc1Cl)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8-])=O)C(F)(F)F |r|

BDBM50472715

[Na;v0+].[#6][C@@]([#8])([#6](=O)-[#7]-c1ccc(cc1Cl)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#8-])=O)C(F)(F)F |r|