PROTAC TYK2 degradation agent1
HIT218850642
sdf文件结构编辑类似物检索
HIT ID: HIT218850642
Cas No: 2921556-14-9
分子式: C55H69N13O7S
分子量: 1056.3
常用名: PROTAC TYK2 degradation agent1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 6-({5-[(9-{[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}nonyl)carbamoyl]pyridin-2-yl}amino)-4-{[2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]amino}-N-methylpyridine-3-carboxamide
IUPAC: 6-({5-[(9-{[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}nonyl)carbamoyl]pyridin-2-yl}amino)-4-{[2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]amino}-N-methylpyridine-3-carboxamide
SMILES: CNC(=O)c1cnc(Nc2ccc(cn2)C(=O)NCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)cc1Nc1cccc(-c2ncn(C)n2)c1OC
SMILES: CNC(=O)c1cnc(Nc2ccc(cn2)C(=O)NCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)cc1Nc1cccc(-c2ncn(C)n2)c1OC
InChI key: ZQBPERKIXUCCNQ-DXGZDBETSA-N
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