Name: DBt-10
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219234680
Cas No:
常用名:DBt-10
IUPAC:N-[3-(6-{1-[2-(4-{2-[5-(4-{4-[(2-aminoethyl)amino]-2-[1-(4-chlorophenyl)cyclohexyl]quinazolin-7-yl}piperazin-1-yl)-5-oxopentanamido]ethyl}-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-1H-pyrazol-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-fluoro-2-methylphenyl]-3-(2,2-dimethylpropyl)-3-hydroxyazetidine-1-carboxamide
IUPAC:N-[3-(6-{1-[2-(4-{2-[5-(4-{4-[(2-aminoethyl)amino]-2-[1-(4-chlorophenyl)cyclohexyl]quinazolin-7-yl}piperazin-1-yl)-5-oxopentanamido]ethyl}-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]-1H-pyrazol-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-fluoro-2-methylphenyl]-3-(2,2-dimethylpropyl)-3-hydroxyazetidine-1-carboxamide
InChI key:LBIYUFWGBHNKTG-UHFFFAOYSA-N

分子式:C68H86ClFN16O6
分子量:1277.99
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1c(NC(=O)N2CC(O)(CC(C)(C)C)C2)cc(F)cc1-c1ncnc2[nH]c(cc12)-c1cnn(CC(=O)N2CCC3(CC2)CN(CCNC(=O)CCCC(=O)N2CCN(CC2)c2ccc4c(NCCN)nc(nc4c2)C2(CCCCC2)c2ccc(Cl)cc2)CCO3)c1
SMILES:Cc1c(NC(=O)N2CC(O)(CC(C)(C)C)C2)cc(F)cc1-c1ncnc2[nH]c(cc12)-c1cnn(CC(=O)N2CCC3(CC2)CN(CCNC(=O)CCCC(=O)N2CCN(CC2)c2ccc4c(NCCN)nc(nc4c2)C2(CCCCC2)c2ccc(Cl)cc2)CCO3)c1

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