Setipafant
HIT212673302
sdf文件结构编辑类似物检索
HIT ID: HIT212673302
Cas No: 132418-35-0
分子式: C26H23ClN6O2S
分子量: 519.02
常用名: Setipafant
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 4.060237
IUPAC: 9-(2-chlorophenyl)-N-(4-methoxyphenyl)-3-methyl-17-thia-2,4,5,8,14-pentaazatetracyclo[8.7.0.0^{2,6}.0^{11,16}]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carboxamide
IUPAC: 9-(2-chlorophenyl)-N-(4-methoxyphenyl)-3-methyl-17-thia-2,4,5,8,14-pentaazatetracyclo[8.7.0.0^{2,6}.0^{11,16}]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carboxamide
SMILES: COc1ccc(NC(=O)N2CCc3c(C2)sc-2c3C(=NCc3nnc(C)n-23)c2ccccc2Cl)cc1 |c:20|
SMILES: COc1ccc(NC(=O)N2CCc3c(C2)sc-2c3C(=NCc3nnc(C)n-23)c2ccccc2Cl)cc1 |c:20|
InChI key: DDJKTQDAEYPACV-UHFFFAOYSA-N
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