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