14-methyl-13-(3-oxobut-1-en-1-yl)-8,15-diazahexacyclo[14.2.1.0^{1,9}.0^{2,7}.0^{10,15}.0^{12,17}]nonadeca-2,4,6,8-tetraen-18-yl acetate, Rauvotetraphylline D
HIT218832735
sdf文件结构编辑类似物检索
HIT ID: HIT218832735
Cas No:
分子式: C24H26N2O3
分子量: 390.483
常用名: 14-methyl-13-(3-oxobut-1-en-1-yl)-8,15-diazahexacyclo[14.2.1.0^{1,9}.0^{2,7}.0^{10,15}.0^{12,17}]nonadeca-2,4,6,8-tetraen-18-yl acetate, Rauvotetraphylline D
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 14-methyl-13-(3-oxobut-1-en-1-yl)-8,15-diazahexacyclo[14.2.1.0^{1,9}.0^{2,7}.0^{10,15}.0^{12,17}]nonadeca-2,4,6,8-tetraen-18-yl acetate
SMILES: CC1C(C=CC(C)=O)C2CC3N1C1CC4(C(OC(C)=O)C21)C3=Nc1ccccc41
InChI key: CTZIRFIBRQILGQ-UHFFFAOYSA-N
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