Name: PROTAC KRAS G12C degrader-3
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851221
Cas No:2768099-51-8
常用名:PROTAC KRAS G12C degrader-3
IUPAC:4-{4-[(4-{4-[(3S,5S)-5-({[7-(8-chloronaphthalen-1-yl)-4-[(3S)-3-(cyanomethyl)-4-(prop-2-enoyl)piperazin-1-yl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-2-yl]oxy}methyl)-1-methylpyrrolidin-3-yl]piperazine-1-carbonyl}piperidin-1-yl)methyl]phenyl}-5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4H-1,2,4-triazole-3-carboxamide
IUPAC:4-{4-[(4-{4-[(3S,5S)-5-({[7-(8-chloronaphthalen-1-yl)-4-[(3S)-3-(cyanomethyl)-4-(prop-2-enoyl)piperazin-1-yl]-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-2-yl]oxy}methyl)-1-methylpyrrolidin-3-yl]piperazine-1-carbonyl}piperidin-1-yl)methyl]phenyl}-5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4H-1,2,4-triazole-3-carboxamide
InChI key:RKQABCMDWYZJBX-OLCJBLMYSA-N

分子式:C63H75ClN14O6
分子量:1159.84
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(CN2CCC(CC2)C(=O)N2CCN(CC2)[C@H]2C[C@@H](COc3nc4CN(CCc4c(n3)N3CCN([C@@H](CC#N)C3)C(=O)C=C)c3cccc4cccc(Cl)c34)N(C)C2)cc1
SMILES:CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(CN2CCC(CC2)C(=O)N2CCN(CC2)[C@H]2C[C@@H](COc3nc4CN(CCc4c(n3)N3CCN([C@@H](CC#N)C3)C(=O)C=C)c3cccc4cccc(Cl)c34)N(C)C2)cc1

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