Name: DDa-1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219234684
Cas No:3036944-98-3
常用名:DDa-1
IUPAC:2-({6-[4-({1-[8-(4-{4-[(2-aminoethyl)amino]-2-[1-(4-chlorophenyl)cyclohexyl]quinazolin-7-yl}piperazin-1-yl)-8-oxooctyl]piperidin-4-yl}oxy)piperidin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide
IUPAC:2-({6-[4-({1-[8-(4-{4-[(2-aminoethyl)amino]-2-[1-(4-chlorophenyl)cyclohexyl]quinazolin-7-yl}piperazin-1-yl)-8-oxooctyl]piperidin-4-yl}oxy)piperidin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide
InChI key:QBZFTPUVKJPJOR-UHFFFAOYSA-N

分子式:C60H77Cl2N13O3S
分子量:1131.32
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCC(CC1)OC1CCN(CCCCCCCC(=O)N2CCN(CC2)c2ccc3c(NCCN)nc(nc3c2)C2(CCCCC2)c2ccc(Cl)cc2)CC1
SMILES:Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCC(CC1)OC1CCN(CCCCCCCC(=O)N2CCN(CC2)c2ccc3c(NCCN)nc(nc3c2)C2(CCCCC2)c2ccc(Cl)cc2)CC1

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