| General Property |
| Molceule ID (DB) | EGIN0000411 |
| Inhibitor Class | Benzimidazole |
| Molecule Name in Refrence Article | 5e compound |
| IUPAC Name | 2-chloro-N-{2-[(2R)-1-methylpyrrolidin-2-yl]-1H-1,3-benzodiazol-5-yl}acetamide |
| Formula | C14H17ClN4O |
| Mass | 292.764 |
| Exact Mass | 292.1090889 |
| Composition | C (57.44%), H (5.85%), Cl (12.11%), N (19.14%), O (5.46%) |
| Atom Count | 37 |
| PI | 9.51 |
| Smiles | c12c(ccc(c1)NC(=O)CCl)[nH]c(n2)[C@@H]1N(CCC1)C |
| InChI | 1S/C14H17ClN4O/c1-19-6-2-3-12(19)14-17-10-5-4-9(7-11(10)18-14)16-13(20)8-15/h4-5,7,12H,2-3,6,8H2,1H3
,(H,16,20)(H,17,18)/t12-/m1/s1 |
| InChIKey | NNDZOEPIAIHZHG-GFCCVEGCSA-N |
| 2D Structure |  | Structure Backbone |  |
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| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 21724404 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | PI3K alpha | VEGFR-2 or KDR | PDGFR beta | PDGFR alpha | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
