PROTAC GPX4 degrader-1
HIT218850578
sdf文件结构编辑类似物检索
HIT ID: HIT218850578
Cas No: 2916433-81-1
分子式: C50H57ClN10O10
分子量: 993.52
常用名: PROTAC GPX4 degrader-1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-{[3-(4-{[1-(2-{4-[(4-chlorophenyl)[4-(5-methyl-4-nitro-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]phenoxy}acetyl)piperidin-4-yl]methyl}piperazin-1-yl)propyl]amino}-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione
IUPAC: 4-{[3-(4-{[1-(2-{4-[(4-chlorophenyl)[4-(5-methyl-4-nitro-1,2-oxazole-3-carbonyl)piperazin-1-yl]methyl]phenoxy}acetyl)piperidin-4-yl]methyl}piperazin-1-yl)propyl]amino}-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione
SMILES: Cc1onc(C(=O)N2CCN(CC2)C(c2ccc(Cl)cc2)c2ccc(OCC(=O)N3CCC(CN4CCN(CCCNc5cccc6C(=O)N(C7CCC(=O)NC7=O)C(=O)c56)CC4)CC3)cc2)c1[N+]([O-])=O
SMILES: Cc1onc(C(=O)N2CCN(CC2)C(c2ccc(Cl)cc2)c2ccc(OCC(=O)N3CCC(CN4CCN(CCCNc5cccc6C(=O)N(C7CCC(=O)NC7=O)C(=O)c56)CC4)CC3)cc2)c1[N+]([O-])=O
InChI key: HMSNFNLFZRKDIO-UHFFFAOYSA-N
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