3-amino-6-[4-(4-{4-[1-(17-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino}-3,6,9,12,15-pentaoxaheptadecan-1-yl)-1,2,3-triazol-4-yl]butyl}piperazin-1-ylsulfonyl)phenyl]-N-(pyridin-3-yl)pyrazine-2-carboxamide, PT-65
HIT218832811
sdf文件结构编辑类似物检索
HIT ID: HIT218832811
Cas No:
分子式: C51H63N13O12S
分子量: 1082.2
常用名: 3-amino-6-[4-(4-{4-[1-(17-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino}-3,6,9,12,15-pentaoxaheptadecan-1-yl)-1,2,3-triazol-4-yl]butyl}piperazin-1-ylsulfonyl)phenyl]-N-(pyridin-3-yl)pyrazine-2-carboxamide, PT-65
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-amino-6-{4-[(4-{4-[1-(17-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}-3,6,9,12,15-pentaoxaheptadecan-1-yl)-1H-1,2,3-triazol-4-yl]butyl}piperazin-1-yl)sulfonyl]phenyl}-N-(pyridin-3-yl)pyrazine-2-carboxamide
SMILES: Nc1ncc(nc1C(=O)Nc1cccnc1)-c1ccc(cc1)S(=O)(=O)N1CCN(CCCCc2cn(CCOCCOCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)nn2)CC1
InChI key: QJSFLEBIQZMJQF-UHFFFAOYSA-N
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