Name: XMD-17-51 Trifluoroacetate
Rating: 5 (10 reviews)

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HIT ID:HIT212672218
Cas No:2436579-93-8
常用名:XMD-17-51 Trifluoroacetate
别名:XMD-17-51 Trifluoroacetate (1628614-50-5 free base)
别名:XMD-17-51 Trifluoroacetate (1628614-50-5 free base)
IUPAC:2,9-dimethyl-5-{[1-(piperidin-4-yl)-1H-pyrazol-4-yl]amino}-2,4,6,9-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-10-one; trifluoroacetic acid
IUPAC:2,9-dimethyl-5-{[1-(piperidin-4-yl)-1H-pyrazol-4-yl]amino}-2,4,6,9-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-10-one; trifluoroacetic acid
InChI key:LCEQZCVFZRUKMK-UHFFFAOYSA-N

分子式:C23H25F3N8O3
分子量:518.501
氢键供体数 (HBD):2
氢键受体数 (HBA):7
LogP:1.1300936
SMILES:OC(=O)C(F)(F)F.CN1c2ccccc2C(=O)N(C)c2cnc(Nc3cnn(c3)C3CCNCC3)nc12
SMILES:OC(=O)C(F)(F)F.CN1c2ccccc2C(=O)N(C)c2cnc(Nc3cnn(c3)C3CCNCC3)nc12

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