Name: BRD1991
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218963852
Cas No:2235468-02-5
常用名:BRD1991
IUPAC:3,5-dichloro-N-{[13-(1-hydroxypropan-2-yl)-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.0^{2,7}.0^{17,22}]docosa-1(15),2(7),3,5,17,19,21-heptaen-10-yl]methyl}-N-methylbenzamide
IUPAC:3,5-dichloro-N-{[13-(1-hydroxypropan-2-yl)-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.0^{2,7}.0^{17,22}]docosa-1(15),2(7),3,5,17,19,21-heptaen-10-yl]methyl}-N-methylbenzamide
InChI key:XHSQRYCQVHKXLF-UHFFFAOYSA-N

分子式:C33H35Cl2N3O4
分子量:608.56
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(CO)N1CC(C)C(CN(C)C(=O)c2cc(Cl)cc(Cl)c2)OCc2ccccc2-c2c(C1=O)n(C)c1ccccc21
SMILES:CC(CO)N1CC(C)C(CN(C)C(=O)c2cc(Cl)cc(Cl)c2)OCc2ccccc2-c2c(C1=O)n(C)c1ccccc21

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