PDB CCD ID: | M9U |
Number of entries in BioLiP: | 1 |
Chemical formula: | C15 H15 Cl N4 O2 |
InChI: | InChI=1S/C15H15ClN4O2/c16-9-1-4-13-12(7-9)11(5-6-22-13)14(21)18-15-19-17-8-20(15)10-2-3-10/h1,4,7-8,10-11H,2-3,5-6H2,(H,18,19,21)/t11-/m0/s1 |
InChIKey: | MMSFMHOFPDOWCH-NSHDSACASA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 2.0.7 | c1cc2c(cc1Cl)C(CCO2)C(=O)Nc3nncn3C4CC4 | CACTVS 3.385 | Clc1ccc2OCC[CH](C(=O)Nc3nncn3C4CC4)c2c1 | OpenEye OEToolkits 2.0.7 | c1cc2c(cc1Cl)[C@H](CCO2)C(=O)Nc3nncn3C4CC4 | CACTVS 3.385 | Clc1ccc2OCC[C@H](C(=O)Nc3nncn3C4CC4)c2c1 | ACDLabs 12.01 | Clc1ccc2OCCC(c2c1)C(=O)Nc1nncn1C1CC1 |
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Name: | (4S)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |