Name: Simmitecan hydrochloride
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT217588443
Cas No:1247847-78-4
常用名:Simmitecan hydrochloride
IUPAC:(19S)-19-ethyl-19-hydroxy-14,18-dioxo-8-(prop-2-en-1-yl)-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-7-yl [1,4'-bipiperidine]-1'-carboxylate hydrochloride
IUPAC:(19S)-19-ethyl-19-hydroxy-14,18-dioxo-8-(prop-2-en-1-yl)-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-7-yl [1,4'-bipiperidine]-1'-carboxylate hydrochloride
InChI key:UWNITDCAZZJJFF-GXUZKUJRSA-N

分子式:C34H39ClN4O6
分子量:635.16
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(OC(=O)N5CCC(CC5)N5CCCCC5)c(CC=C)c4cc3Cn1c2=O
SMILES:Cl.CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(OC(=O)N5CCC(CC5)N5CCCCC5)c(CC=C)c4cc3Cn1c2=O

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