Cinepaxadil
HIT214319240
sdf文件结构编辑类似物检索
HIT ID: HIT214319240
Cas No: 69118-25-8
分子式: C29H36N2O9
分子量: 556.612
常用名: Cinepaxadil
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-(4-{3-[(8-acetyl-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]-2-hydroxypropyl}piperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
IUPAC: 1-(4-{3-[(8-acetyl-2,3-dihydro-1,4-benzodioxin-5-yl)oxy]-2-hydroxypropyl}piperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SMILES: COc1cc(C=CC(=O)N2CCN(CC(O)COc3ccc(C(C)=O)c4OCCOc34)CC2)cc(OC)c1OC |w:6.6|
SMILES: COc1cc(C=CC(=O)N2CCN(CC(O)COc3ccc(C(C)=O)c4OCCOc34)CC2)cc(OC)c1OC |w:6.6|
InChI key: SYFDPNLESAYNCB-UHFFFAOYSA-N
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