CH7057288
HIT212652320
sdf文件结构编辑类似物检索
HIT ID: HIT212652320
Cas No: 2095616-82-1
分子式: C32H31N3O5S
分子量: 569.68
常用名: CH7057288
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 4.1393704
IUPAC: N-tert-butyl-2-(2-{5-methanesulfonamido-2,2-dimethyl-9-oxo-17-oxatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),3,5,7,11,13,15-heptaen-14-yl}ethynyl)-6-methylpyridine-4-carboxamide
IUPAC: N-tert-butyl-2-(2-{5-methanesulfonamido-2,2-dimethyl-9-oxo-17-oxatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),3,5,7,11,13,15-heptaen-14-yl}ethynyl)-6-methylpyridine-4-carboxamide
SMILES: Cc1cc(cc(n1)C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O)C(=O)NC(C)(C)C
SMILES: Cc1cc(cc(n1)C#Cc1ccc2c3c(oc2c1)C(C)(C)c1cc(NS(C)(=O)=O)ccc1C3=O)C(=O)NC(C)(C)C
InChI key: DCGOHGQJHJXBGW-UHFFFAOYSA-N
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