MK-0873
HIT212717228
sdf文件结构编辑类似物检索
HIT ID: HIT212717228
Cas No: 500355-52-2
分子式: C25H18N4O3
分子量: 422.444
常用名: MK-0873
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 1.9803199
IUPAC: 3-(2-{3-[3-(cyclopropylcarbamoyl)-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]phenyl}ethynyl)pyridin-1-ium-1-olate
IUPAC: 3-(2-{3-[3-(cyclopropylcarbamoyl)-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]phenyl}ethynyl)pyridin-1-ium-1-olate
SMILES: [O-][n+]1cccc(c1)C#Cc1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12
SMILES: [O-][n+]1cccc(c1)C#Cc1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12
InChI key: JJWKQXNHYDJXKF-UHFFFAOYSA-N
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