CM026
HIT100086542
sdf文件结构编辑类似物检索
HIT ID: HIT100086542
Cas No: 851941-94-1
分子式: C22H30N6O4
分子量: 442.52
常用名: CM026
氢键受体数 (HBA): 10
氢键供体数 (HBD): 0
LogP: 2.03
IUPAC: 8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
IUPAC: 8-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
SMILES: CC(C)CCn1c(CN2CCN(CC2)C(=O)c2ccco2)nc2n(C)c(=O)n(C)c(=O)c12
SMILES: CC(C)CCn1c(CN2CCN(CC2)C(=O)c2ccco2)nc2n(C)c(=O)n(C)c(=O)c12
InChI key: AGUUKKXWABRVBZ-UHFFFAOYSA-N
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