SPB5208
HIT219201245
sdf文件结构编辑类似物检索
HIT ID: HIT219201245
Cas No:
分子式: C44H47N7O9
分子量: 817.9
常用名: SPB5208
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-(2-{2-[2-(2-{3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]piperidin-1-yl}ethoxy)ethoxy]ethoxy}ethoxy)-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione
IUPAC: 4-(2-{2-[2-(2-{3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]piperidin-1-yl}ethoxy)ethoxy]ethoxy}ethoxy)-2-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione
SMILES: Nc1ccnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(CCOCCOCCOCCOc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)C1
SMILES: Nc1ccnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(CCOCCOCCOCCOc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)C1
InChI key: PCALLPMCBXZHIT-UHFFFAOYSA-N
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