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| Duplicate ID | |
|---|---|
| Molecule Name | N-((1S,2S)-2-methyl-1-{[(3-pyridylmethyl)amino]carbonyl}butyl)-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide |
| N-((2S,3S)-3-methyl-1-oxo-1-((pyridin-3-ylmethyl)amino)pentan-2-yl)-2-(1H-pyrrol-1-yl)benzo[d]thiazole-6-carboxamide | |
| Smiles | CC[C@@H]([C@@H](C(=O)NCc1cccnc1)NC(=O)c1ccc2c(c1)sc(n2)n1cccc1)C |
| Cas Number | |
| InchiKey | HXWKSCDWFYEPNF-KKSFZXQISA-N |
| InChi | InChI=1S/C24H25N5O2S/c1-3-16(2)21(23(31)26-15-17-7-6-10-25-14-17)28-22(30)18-8-9-19-20(13-18)32-24(27-19)29-11-4-5-12-29/h4-14,16,21H,3,15H2,1-2H3,(H,26,31)(H,28,30)/t16-,21-/m0/s1 |
| Formula | C24H25N5O2S |
| Molecular weight | 447.553 |
| Rings | 4 |
| logP | 4.7247 |
| PSA | 117.15 |
| MR | 126.069 |