SMILES for Cyclin-dependent kinase 13/Cyclin-K

68 SMILES Strings for Cyclin-dependent kinase 13/Cyclin-K

Compound Name

SMILES String

C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC

Cn1cc(ccc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:15.16,wD:18.23,(17.35,-24.38,;18.11,-25.71,;19.66,-25.71,;20.43,-27.05,;19.66,-28.38,;18.11,-28.38,;17.35,-27.05,;15.8,-27.05,;21.97,-27.05,;22.74,-28.38,;24.28,-28.38,;25.05,-27.05,;24.28,-25.71,;22.74,-25.71,;26.6,-27.05,;27.37,-25.71,;26.6,-24.38,;27.37,-23.04,;28.91,-23.04,;29.68,-24.38,;28.91,-25.71,;29.68,-21.71,;31.22,-21.71,;31.99,-20.37,;33.54,-20.37,;34.3,-21.71,;33.54,-23.04,;31.99,-23.04,;35.85,-21.71,;37.39,-21.71,;27.37,-28.38,;26.6,-29.71,;28.91,-28.38,;29.68,-29.71,;31.22,-29.71,;31.99,-28.38,;33.54,-28.38,;34.3,-29.71,;33.54,-31.05,;31.99,-31.05,)|

BDBM50367849

Cn1cc(cn1)-c1ccc(cc1)N([C@@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wD:16.21,13.14,(33.38,-26.71,;31.84,-26.8,;30.86,-25.61,;29.43,-26.18,;29.52,-27.71,;31.01,-28.09,;28.14,-25.34,;28.21,-23.81,;26.91,-22.98,;25.54,-23.69,;25.48,-25.23,;26.77,-26.05,;24.24,-22.86,;22.92,-23.64,;22.93,-25.18,;21.6,-25.96,;20.26,-25.2,;20.25,-23.66,;21.58,-22.88,;18.94,-25.98,;17.6,-25.22,;16.28,-26,;14.94,-25.24,;14.93,-23.7,;16.25,-22.92,;17.59,-23.68,;13.59,-22.94,;12.25,-22.18,;24.31,-21.33,;25.64,-20.55,;22.97,-20.56,;21.65,-21.34,;20.3,-20.58,;20.29,-19.03,;18.94,-18.27,;17.61,-19.06,;17.62,-20.61,;18.97,-21.37,)|

BDBM50519662

CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1

BDBM50528813

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50110178

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1

BDBM50539904

CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|

BDBM50573503

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Br)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50573504

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(C2CC2)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50573505

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(c(n1)-c1c[nH]c2ccccc12)C(F)(F)F |r|

BDBM50573506

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50573507

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50573508

CN(C)C\C=C\C(=O)Nc1ccc(nc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50573509

Clc1cnc(N[C@@H]2CCCN(C2)C(=O)c2ccc(NC(=O)C=C)cn2)nc1-c1c[nH]c2ccccc12 |r|

BDBM50573510

CN(C)C\C=C\C(=O)Nc1ccc(cc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50573511

C\C=C\C(=O)Nc1ccc(cc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50573512

CN(C)C\C=C\C(=O)Nc1ccc(nc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50573513

C\C=C\C(=O)Nc1ccc(nc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50573514

C\C=C\C(=O)Nc1ccc(cc1C)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50573515

C\C=C\C(=O)Nc1ccc(N2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c(F)c1 |r|

BDBM50573516

C\C=C\C(=O)Nc1cc(F)c(cc1C)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50573517

COc1cc(NC(=O)\C=C\C)c(C)cc1N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50573518

CN(C)C\C=C\C(=O)Nc1ccc(O[C@@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)cc1 |r|

BDBM50573519

C\C=C\C(=O)Nc1ccc(O[C@@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)cc1 |r|

BDBM50573520

CN(C)C\C=C\C(=O)Nc1ccc(O[C@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)cc1 |r|

BDBM50573521

CN(C)C\C=C\C(=O)Nc1ccc(O[C@@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c(F)c1 |r|

BDBM50573930

CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(ccnc3c2)N2CCN(C)CC2)n1

BDBM50583189

CCN(CC)c1cnc2ccc(cc2n1)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F

BDBM50540080

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50594507

O=C(NCc1ccccc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)N1CCNCC1 |r,wU:11.11,wD:14.18,(.41,3.92,;-.66,3.3,;-1.99,4.08,;-1.99,5.62,;-3.32,6.39,;-3.32,7.93,;-4.65,8.7,;-5.99,7.93,;-5.99,6.39,;-4.65,5.62,;-.66,1.76,;-2,1,;-2,-.54,;-3.33,-1.31,;-4.67,-.53,;-4.67,1,;-3.33,1.77,;-6,-1.3,;-6,-2.84,;-4.68,-3.62,;-4.68,-5.16,;-6,-5.92,;-7.34,-5.16,;-7.34,-3.61,;-6,-7.46,;-6,-8.7,;.67,.99,;.67,-.55,;2.01,-1.31,;3.34,-.55,;3.34,.99,;2.01,1.77,;4.67,-1.32,;4.67,-2.85,;6.01,-3.63,;7.34,-2.85,;7.34,-1.32,;6,-.55,)|

BDBM50597407

CC(O)CSc1nc(NCc2ccc(cc2)-n2cccn2)c2n[nH]c(C(C)C)c2n1

BDBM50597419

CC(C)c1n[nH]c2c(NCc3ccc(cc3)-n3ccnc3)nc(SCCN)nc12

BDBM50597424

CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3cnccn3)nc(SCCN)nc12

BDBM50597425

NCCSc1nc(NCc2ccc(cc2)-n2cccn2)c2[nH]nc(C3CCC3)c2n1

BDBM50597426

NCCSc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C3CCC3)c2n1

BDBM50597428

NCCSc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C3CCCC3)c2n1

BDBM50139171

CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|

BDBM50605448

CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2nccc(Sc3cnc(cn3)N3CCC4(CO[C@@H](C)[C@H]4N)CC3)c2Cl)ncc1F |r|

BDBM50528815

CCc1cnn2c(Nc3cccc(NC(=O)C=C)c3)cc(nc12)N1CCCC[C@H]1CCO |r|

BDBM50540079

Cn1ncc(c1CC1CC1)-c1nc(N[C@H]2CC[C@H](N)CC2)ncc1F |r,wU:14.15,wD:17.19,(30.75,-4.85,;29.97,-6.19,;28.43,-6.19,;27.96,-7.65,;29.21,-8.55,;30.45,-7.65,;31.94,-8.05,;33.03,-6.96,;34.51,-6.56,;33.42,-5.47,;29.21,-10.1,;30.54,-10.86,;30.54,-12.4,;31.87,-13.17,;33.2,-12.4,;33.2,-10.86,;34.53,-10.1,;35.87,-10.86,;37.2,-10.1,;35.87,-12.4,;34.53,-13.17,;29.21,-13.17,;27.88,-12.41,;27.88,-10.86,;26.54,-10.1,)|

BDBM3175

[H]/N=C(/N)\SCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C

BDBM50620680

NCCCNc1ccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)cc1

BDBM50270304

CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4[nH]ccc34)cc2)CC1

BDBM50593922

CCC(CC)c1cc(n2c(n1)ccn2)N[C@H]3CC[C@@H](C3)N

BDBM729426

C=CC(=O)Nc1cc(N(C(=O)NCc2ccccc2)[C@H]2CC[C@H](Nc3ccc(C#N)cn3)CC2)ccc1-c1ccc(=O)n(C)c1

BDBM729425

C=CC(=O)Nc1cccc(N(C(=O)NCc2ccccc2)[C@H]2CC[C@H](Nc3ccc(C#N)cn3)CC2)c1

BDBM729428

C=CC(=O)Nc1cc(N(C(=O)NCc2ccccc2)[C@H]2CC[C@H](Nc3ccc(C#N)cn3)CC2)ccc1N(C)CCN(C)C

BDBM729429

C=CC(=O)Nc1cc(N(C(=O)NCc2ccccc2)[C@H]2CC[C@H](Nc3ccc(C#N)cn3)CC2)ccc1N1CC(N(C)C)C1

BDBM729430

C=CC(=O)Nc1cc(N(C(=O)NCc2ccccc2)[C@H]2CC[C@H](Nc3ccc(C#N)cn3)CC2)ccc1N1CCC(N(C)C)C1

BDBM729432

C=CC(=O)Nc1cc(N(C(=O)NCc2ccccc2)[C@H]2CC[C@H](Nc3ccc(C#N)cn3)CC2)ccc1N1CCN(C)CC1

BDBM729434

C=CC(=O)Nc1cc(N(C(=O)NCc2ccccc2)[C@H]2CC[C@H](Nc3ccc(C#N)cn3)CC2)ccc1N1CCN(C)[C@@H](C)C1

BDBM729437

C=CC(=O)Nc1cc(N(C(=O)NCc2ccccc2)[C@H]2CC[C@H](Nc3ccc(C#N)cn3)CC2)ccc1N1C[C@H]2C[C@@H]1CN2C

BDBM729435

C=CC(=O)Nc1cc(N(C(=O)NCc2ccccc2)[C@H]2CC[C@H](Nc3ccc(C#N)cn3)CC2)ccc1N1CCN(C(C)=O)CC1

BDBM50662094

C=CC(=O)Nc1cc2c3c(c1N1CCOCC1)CCCC3N(Cc1ccccc1)C(=O)N2[C@H]1CC[C@H](Nc2ccc(C#N)cn2)CC1

BDBM50666846

C=CC(=O)N1CCC(C(=O)N2CC[C@@H](Nc3ncc(Cl)c(OC)n3)C2)CC1

BDBM50666847

C=CC(=O)[C@H]1CC[C@H](C(=O)N2CC[C@@H](Nc3ncc(Cl)c(OC)n3)C2)CC1

BDBM50666848

C=CC(=O)N1CC2(CCC(C(=O)N3CC[C@@H](Nc4ncc(Cl)c(OC)n4)C3)CC2)C1

BDBM50666849

C=CC(=O)NC12CC(C(=O)N3CC[C@@H](Nc4ncc(Cl)c(OC)n4)C3)(C1)C2

BDBM479007

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|

BDBM50666850

C=CC(=O)N1CCc2c(ccnc2N2CC[C@@H](Nc3ncc(Cl)c(OC)n3)C2)C1

BDBM50666851

C=CC(=O)N1CCc2c(ncnc2N2CC[C@@H](Nc3ncc(Cl)c(OC)n3)C2)C1

BDBM50666853

C=CC(=O)N1Cc2ccnc(N3CC[C@@H](Nc4ncc(Cl)c(OC)n4)C3)c2C1

BDBM50666854

C=CC(=O)N1Cc2ncnc(N3CC[C@@H](Nc4ncc(Cl)c(OC)n4)C3)c2C1

BDBM50666855

C=CC(=O)N1CCc2c(nc(C)nc2N2CC[C@@H](Nc3ncc(Cl)c(OC)n3)C2)C1

BDBM50666856

C=CC(=O)N1CCc2c(nc(OC)nc2N2CC[C@@H](Nc3ncc(Cl)c(OC)n3)C2)C1

BDBM50666857

C=CC(=O)N1CCc2c(nc(N3CCOCC3)nc2N2CC[C@@H](Nc3ncc(Cl)c(OC)n3)C2)C1

BDBM50666858

C=CC(=O)N1CCc2c(nc(N3CCCC3=O)nc2N2CC[C@@H](Nc3ncc(Cl)c(OC)n3)C2)C1

BDBM50666860

CC#CC(=O)N1CCc2c(ncnc2N2CC[C@@H](Nc3ncc(Cl)c(OC)n3)C2)C1