PROTAC Chk1 degrader-1
HIT218848781
sdf文件结构编辑类似物检索
HIT ID: HIT218848781
Cas No: 2597167-34-3
分子式: C43H44N14O9
分子量: 900.914
常用名: PROTAC Chk1 degrader-1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-{[1-(2-{2-[2-(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetamido)ethoxy]ethoxy}ethyl)-1H-1,2,3-triazol-4-yl]methyl}pyrimidine-4-carboxamide
IUPAC: 2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-{[1-(2-{2-[2-(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetamido)ethoxy]ethoxy}ethyl)-1H-1,2,3-triazol-4-yl]methyl}pyrimidine-4-carboxamide
SMILES: O=C(COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)NCCOCCOCCn1cc(CNC(=O)c2cc(Nc3cc([nH]n3)C3CC3)nc(Nc3ccc(CC#N)cc3)n2)nn1
SMILES: O=C(COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)NCCOCCOCCn1cc(CNC(=O)c2cc(Nc3cc([nH]n3)C3CC3)nc(Nc3ccc(CC#N)cc3)n2)nn1
InChI key: HUEILOSTKICPMD-UHFFFAOYSA-N
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