PDB CCD ID: | 0LC |
Number of entries in BioLiP: | 2 |
Chemical formula: | C23 H25 F N4 O2 |
InChI: | InChI=1S/C23H25FN4O2/c24-14-5-6-19-17(11-14)18-12-28(10-7-20(18)26-19)22(30)16-4-2-1-3-15(16)21(29)27-23(13-25)8-9-23/h5-6,11,15-16,26H,1-4,7-10,12H2,(H,27,29)/t15-,16-/m1/s1 |
InChIKey: | HGJTURTZFKNELD-HZPDHXFCSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.7.6 | c1cc2c(cc1F)c3c([nH]2)CCN(C3)C(=O)C4CCCCC4C(=O)NC5(CC5)C#N | OpenEye OEToolkits 1.7.6 | c1cc2c(cc1F)c3c([nH]2)CCN(C3)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N | CACTVS 3.370 | Fc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(CC5)C#N | CACTVS 3.370 | Fc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)[CH]4CCCC[CH]4C(=O)NC5(CC5)C#N | ACDLabs 12.01 | N#CC5(NC(=O)C4CCCCC4C(=O)N2Cc1c3c(nc1CC2)ccc(F)c3)CC5 |
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Name: | (1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide |
ChEMBL: | CHEMBL2164678 |
ZINC: | ZINC000095556465 |