Name: XMU-MP-2
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT213127980
Cas No:2031152-10-8
常用名:XMU-MP-2
IUPAC:N-[3-(7-{[6-(4-hydroxypiperidin-1-yl)pyridin-3-yl]amino}-1-methyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
IUPAC:N-[3-(7-{[6-(4-hydroxypiperidin-1-yl)pyridin-3-yl]amino}-1-methyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
InChI key:ZGTWRRCZLAOQMY-UHFFFAOYSA-N

分子式:C32H33F3N8O2
分子量:618.665
氢键供体数 (HBD):3
氢键受体数 (HBA):9
LogP:4.872
SMILES:CN1CN(Cc2cnc(Nc3ccc(nc3)N3CCC(O)CC3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
SMILES:CN1CN(Cc2cnc(Nc3ccc(nc3)N3CCC(O)CC3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C

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