Name: Polθ-IN-7
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219250627
Cas No:2923356-52-7
常用名:Polθ-IN-7
IUPAC:(4S,8R)-2,12-dimethyl-5-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]-10-[2-(4-methylpiperazin-1-yl)ethyl]-2,5,10-triazatricyclo[9.4.0.0^{4,8}]pentadeca-1(11),12,14-triene-3,6-dione
IUPAC:(4S,8R)-2,12-dimethyl-5-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]-10-[2-(4-methylpiperazin-1-yl)ethyl]-2,5,10-triazatricyclo[9.4.0.0^{4,8}]pentadeca-1(11),12,14-triene-3,6-dione
InChI key:JCATVBJYPBKEFM-IBVKSMDESA-N

分子式:C28H35F3N6O2
分子量:544.623
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CC(=O)N(c3cc(cc(C)n3)C(F)(F)F)[C@]1([H])C(=O)N(C)c1cccc(C)c1N(CCN1CCN(C)CC1)C2
SMILES:[H][C@]12CC(=O)N(c3cc(cc(C)n3)C(F)(F)F)[C@]1([H])C(=O)N(C)c1cccc(C)c1N(CCN1CCN(C)CC1)C2

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