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CDK
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BicyclolCas Number: 118159-48-1Formula: C19H18O9 Molecular Weight: 390.34IUPAC Name: methyl 4-[5-(hydroxymethyl)-7-methoxy-1,3-benzodioxol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxylateSMILES: COC1=C2C(=C(C(=C1)CO)C3=C4C(=C(C=C3C(=O)OC)OC)OCO4)OCO2InChIKey: KXMTXZACPVCDMH-UHFFFAOYSA-NInChI: InChI=1S/C19H18O9/c1-22-11-4-9(6-20)13(17-15(11)25-7-27-17)14-10(19(21)24-3)5-12(23-2)16-18(14)28-8-26-16/h4-5,20H,6-8H2,1-3H3Synonyms: 4,4'-Bi-1,3-benzodioxole)-5-carboxylic acid, 5'-(hydroxymethyl)-7,7'-dimethoxy-, methyl ester | 5'-(hydroxymethyl)-7,...
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Cucurbitacin ECas Number: 18444-66-1Formula: C32H44O8 Molecular Weight: 556.69IUPAC Name: show moreSMILES: CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3C=C(C(=O)C4(C)C)O)C)C)C)O)OInChIKey: NDYMQXYDSVBNLL-MUYMLXPFSA-NInChI: show moreSynonyms: MFCD00135936 | NSC106399 | NSC-106399 | C08797 | CUCURBITACIN E [MI] | Cucurbitacine E | DTXSID601030496 | [(E,6R)-6-...
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NSC 625987, Inhibitor of cyclin dependent kinase 2;Inhibitor of cyclin dependent kinase 4Cas Number: 141992-47-4Formula: C15H13NO2S Molecular Weight: 271.33IUPAC Name: 1,4-dimethoxy-10H-acridine-9-thioneSMILES: COC1=C2C(=C(C=C1)OC)NC3=CC=CC=C3C2=SInChIKey: KFAKESMKRPNZTM-UHFFFAOYSA-NInChI: InChI=1S/C15H13NO2S/c1-17-11-7-8-12(18-2)14-13(11)15(19)9-5-3-4-6-10(9)16-14/h3-8H,1-2H3,(H,16,19)Synonyms: 1,4-Dimethoxy-9(10H)-acridinethione
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NU 6140, Inhibitor of aurora kinase A;Inhibitor of aurora kinase B;Inhibitor of cyclin dependent kinase 1;Inhibitor of cyclin dependent kinase 2;Inhibitor of cyclin dependent kinase 4;Inhibitor of cyclin dependent kinase 5;Inhibitor of cyclin dependent kinase 7;InCas Number: 444723-13-1Formula: C23H30N6O2 Molecular Weight: 422.52IUPAC Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]-N,N-diethylbenzamideSMILES: CCN(CC)C(=O)C1=CC=C(C=C1)NC2=NC3=C(C(=N2)OCC4CCCCC4)NC=N3InChIKey: XHEQSRJCJTWWAH-UHFFFAOYSA-NInChI: show moreSynonyms: 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide | E73484 | SCHEMBL2169233 | NU6140, >=98% (HPLC) ...
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NU6027Cas Number: 220036-08-8Formula: C11H17N5O2 Molecular Weight: 251.28IUPAC Name: 6-(cyclohexylmethoxy)-5-nitrosopyrimidine-2,4-diamineSMILES: C1CCC(CC1)COC2=NC(=NC(=C2N=O)N)NInChIKey: DGWXOLHKVGDQLN-UHFFFAOYSA-NInChI: InChI=1S/C11H17N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15)Synonyms: 6-(cyclohexylmethoxy)-5-nitrosopyrimidine-2,4-diamine | A14136 | DGWXOLHKVGDQLN-UHFFFAOYSA-N | NCI60_038218 | pyrimid...
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NU6102Cas Number: 444722-95-6Formula: C18H22N6O3S Molecular Weight: 402.47IUPAC Name: 4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]benzenesulfonamideSMILES: C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)S(=O)(=O)NInChIKey: OWXORKPNCHJYOF-UHFFFAOYSA-NInChI: show moreSynonyms: 4SP | 4eor | 4-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}benzene-1-sulfonamide | NCGC00346950-01 | HY-15569 | 4eok ...
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Palbociclib, Cyclin-dependent kinase 4/cyclin D1 inhibitorCas Number: 571190-30-2 EC Number: 810-186-2Formula: C24H29N7O2 Molecular Weight: 447.53IUPAC Name: 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-oneSMILES: CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)CInChIKey: AHJRHEGDXFFMBM-UHFFFAOYSA-NInChI: show moreSynonyms: PD0332991 | PD991 | PF 00080665 | PF-00080665 | PF00080665 | 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl...
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XL 413 hydrochlorideCas Number: 1169562-71-3 Compound CID: 135564631Formula: C14H12ClN3O2•HCl Molecular Weight: 326.18IUPAC Name: 8-chloro-2-[(2S)-pyrrolidin-2-yl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one;hydrochlorideSMILES: C1CC(NC1)C2=NC3=C(C(=O)N2)OC4=C3C=C(C=C4)Cl.ClInChIKey: UNDKJUKLBNARIZ-FVGYRXGTSA-NInChI: InChI=1S/C14H12ClN3O2.ClH/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9;/h3-4,6,9,16H,1-2,5H2,(H,17,18,19);1H/t9-;/m0./s1Synonyms: 1169562-71-3 | XL413 hydrochloride | AKOS025147371 | Xl413 HCl | DISODIUM CROMOLYN [INCI] | MFCD28023577 | BMS-863233...
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Palbociclib isethionateCas Number: 827022-33-3Formula: C24H29N7O2·C2H6O4S Molecular Weight: 573.66IUPAC Name: 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one;2-hydroxyethanesulfonic acidSMILES: CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C.C(CS(=O)(=O)O)OInChIKey: LYYVFHRFIJKPOV-UHFFFAOYSA-NInChI: show moreSynonyms: tert-butoxycarbonyl homopiperazine | 6-acetyl-8-cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[...
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ON-123300, Inhibitor of cyclin dependent kinase 4;Inhibitor of cyclin dependent kinase 6;Inhibitor of NUAK family kinase 1Cas Number: 1357470-29-1Formula: C24H27N7O Molecular Weight: 429.5IUPAC Name: 8-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrileSMILES: CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C=C(C(=O)N(C4=N3)C5CCCC5)C#NInChIKey: VADOZMZXXRBXNY-UHFFFAOYSA-NInChI: show moreSynonyms: CCG-268995 | SB16989 | 8-cyclopentyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitril...
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Abemaciclib, Cyclin-dependent kinase 6 inhibitorCas Number: 1231929-97-7Formula: C27H32F2N8 Molecular Weight: 506.59IUPAC Name: N-[5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amineSMILES: CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)FInChIKey: UZWDCWONPYILKI-UHFFFAOYSA-NInChI: show moreSynonyms: L01XE50 | 5-(4-ethylpiperazin-1-ylmethyl)pyridin-2-yl)-(5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-3H-benzimidazol-5-y...
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Abemaciclib methanesulfonateCas Number: 1231930-82-7 Compound CID: 71576678Formula: C27H32F2N8.CH4O3S Molecular Weight: 602.7IUPAC Name: N-[5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;methanesulfonic acidSMILES: CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F.CS(=O)(=O)OInChIKey: NCJPFQPEVDHJAZ-UHFFFAOYSA-NInChI: show moreSynonyms: 2-Pyrimidinamine, N-[5-[(4-ethyl-1-piperazinyl)methyl]-2-pyridinyl]-5-fluoro-4-[4-fluoro-2-methyl-1-(1-methylethyl)-1...
