Bromodomain-containing proteins

IUPAC Name: 4-[[(4R)-5-(cyclohexylmethyl)-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

SMILES: CC[C@H]1N(CC2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2n2c(C)nnc12

InChIKey: QUMCIHKVKQYNPA-RUZDIDTESA-N

InChI: InChI=1S/C31H43N9O2/c1-5-25-29-37-36-20(2)40(29)26-18-32-31(35-28(26)39(25)19-21-9-7-6-8-10-21)34-24-12-11-22(17-27(24)42-4)30(41)33-23-13-15-38(3)16-14-23/h11-12,17-18,21,23,25H,5-10,13-16,19H2,1-4H3,(H,33,41)(H,32,34,35)/t25-/m1/s1

Cas#: 1357059-00-7        Compound CID:  135566302

IUPAC Name: 5-[(2E)-2-(2-amino-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2,4-dimethylbenzenesulfonic acid

SMILES: NC1=CC(=O)C(=C/C/1=N\Nc1cc(c(cc1C)C)S(=O)(=O)O)C

InChIKey: WGEVKJVUKOELFY-QGOAFFKASA-N

InChI: InChI=1S/C15H17N3O4S/c1-8-4-10(3)15(23(20,21)22)7-12(8)17-18-13-5-9(2)14(19)6-11(13)16/h4-7,17H,16H2,1-3H3,(H,20,21,22)/b18-13+

IUPAC Name: [[(3R)-4-[[3-[2-[2-[[(5S)-5-acetamido-6-amino-6-oxohexyl]amino]-2-oxoethyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate

SMILES: O[C@@H]1[C@H](OP(O)(O)=O)[C@H](O[C@H]1N2C3=NC=NC(N)=C3N=C2)COP(OP(OCC(C)(C)[C@@H](O)C(NCCC(NCCSCC(NCCCC[C@@H](C(N)=O)NC(C)=O)=O)=O)=O)(O)=O)(O)=O

InChIKey: YGZKIOPJGFQDSR-QGSWMBNESA-N

InChI: InChI=1S/C31H53N10O19P3S/c1-17(42)40-18(27(33)47)6-4-5-8-34-21(44)13-64-11-10-35-20(43)7-9-36-29(48)25(46)31(2,3)14-57-63(54,55)60-62(52,53)56-12-19-24(59-61(49,50)51)23(45)30(58-19)41-16-39-22-26(32)37-15-38-28(22)41/h15-16,18-19,23-25,30,45-46H,4-14H2,1-3H3,(H2,33,47)(H,34,44)(H,35,43)(H,36,48)(H,40,42)(H,52,53)(H,54,55)(H2,32,37,38)(H2,49,50,51)/t18-,19+,23+,24+,25-,30+/m0/s1

IUPAC Name: 1,3-dimethyl-2-oxobenzimidazole-5-carboxamide

SMILES: NC(=O)c1ccc2c(c1)n(C)c(=O)n2C

InChIKey: BRBLVCVSNVSPMT-UHFFFAOYSA-N

InChI: InChI=1S/C10H11N3O2/c1-12-7-4-3-6(9(11)14)5-8(7)13(2)10(12)15/h3-5H,1-2H3,(H2,11,14)

IUPAC Name: 3,4-dimethoxy-N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzene-1-sulfonamide

SMILES: COc1ccc(cc1)Oc1cc2c(cc1NS(=O)(=O)c1ccc(c(c1)OC)OC)n(c(=O)n2C)C

InChIKey: KNVIUMWNYXDULF-UHFFFAOYSA-N

InChI: InChI=1S/C24H25N3O7S/c1-26-19-13-18(25-35(29,30)17-10-11-21(32-4)23(12-17)33-5)22(14-20(19)27(2)24(26)28)34-16-8-6-15(31-3)7-9-16/h6-14,25H,1-5H3

SMILES: N#Cc1ccc(cc1)c1n(cnc1c1cnn(c1)C)CCn1nnc(c1)C

InChIKey: YPRKVQKJNRKXFN-UHFFFAOYSA-N

InChI: InChI=1S/C19H18N8/c1-14-11-27(24-23-14)8-7-26-13-21-18(17-10-22-25(2)12-17)19(26)16-5-3-15(9-20)4-6-16/h3-6,10-13H,7-8H2,1-2H3

IUPAC Name: 4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]benzonitrile

SMILES: N#Cc1ccc(cc1)c1n(cnc1c1ccccc1)CCn1nnc(c1)C

InChIKey: OAPIWVHFYSEARE-UHFFFAOYSA-N

InChI: InChI=1S/C21H18N6/c1-16-14-27(25-24-16)12-11-26-15-23-20(18-5-3-2-4-6-18)21(26)19-9-7-17(13-22)8-10-19/h2-10,14-15H,11-12H2,1H3

IUPAC Name: 1-[(2R)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]ethanone

SMILES: C[C@@H]1CN(CCN1C(=O)C)c1cc(nnc1N)c1ccccc1O

InChIKey: FHRKRGDHMCCDEO-LLVKDONJSA-N

InChI: InChI=1S/C17H21N5O2/c1-11-10-21(7-8-22(11)12(2)23)15-9-14(19-20-17(15)18)13-5-3-4-6-16(13)24/h3-6,9,11,24H,7-8,10H2,1-2H3,(H2,18,20)/t11-/m1/s1

IUPAC Name: N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,4-dimethylbenzenesulfonamide

SMILES: Cc1ccc(c(c1)C)S(=O)(=O)Nc1ccc2c(c1)n(C)c(=O)n2C

InChIKey: HVGVNYJRZJHYBS-UHFFFAOYSA-N

InChI: InChI=1S/C17H19N3O3S/c1-11-5-8-16(12(2)9-11)24(22,23)18-13-6-7-14-15(10-13)20(4)17(21)19(14)3/h5-10,18H,1-4H3

IUPAC Name: N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2-methoxybenzamide

SMILES: COc1ccccc1C(=O)Nc1cc2c(cc1N1CCCCC1)n(c(=O)n2C)C

InChIKey: LTUGYAOMCKNTGG-UHFFFAOYSA-N

InChI: InChI=1S/C22H26N4O3/c1-24-18-13-16(23-21(27)15-9-5-6-10-20(15)29-3)17(26-11-7-4-8-12-26)14-19(18)25(2)22(24)28/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,23,27)

IUPAC Name: 4-cyano-N-(1,3-dimethyl-2-oxoquinolin-6-yl)-2-methoxybenzenesulfonamide

SMILES: COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)cc(c(=O)n2C)C

InChIKey: UEMQPCYDWCSVCU-UHFFFAOYSA-N

InChI: InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3