| General Property |
| Molceule ID (DB) | EGIN0003156 |
| Inhibitor Class | Benzimidazole |
| Molecule Name in Refrence Article | 16 compound |
| IUPAC Name | N-[1-(3-aminopropyl)-5-(N-methylcyclohexaneamido)-1H-1,3-benzodiazol-2-yl]thiophene-2-carboxamide |
| Formula | C23H29N5O2S |
| Mass | 439.574 |
| Exact Mass | 439.2041959 |
| Composition | C (62.84%), H (6.65%), N (15.93%), O (7.28%), S (7.29%) |
| Atom Count | 60 |
| PI | 10.14 |
| Smiles | c1(ccc2c(c1)nc(n2CCCN)NC(=O)c1sccc1)N(C(=O)C1CCCCC1)C |
| InChI | 1S/C23H29N5O2S/c1-27(22(30)16-7-3-2-4-8-16)17-10-11-19-18(15-17)25-23(28(19)13-6-12-24)26-21(29)20-9
-5-14-31-20/h5,9-11,14-16H,2-4,6-8,12-13,24H2,1H3,(H,25,26,29) |
| InChIKey | PNKZMKLBCXJMOP-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | 17499505 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | ECK | HGFR | LYN | BMX | BTK | EGFR | FGFR3 | TXK | IRK | TEC | ALL |
| Pub Chem Link |
44432441
|
| Drug Bank Link | - |
| ChemSpider Link | 23294700 |
| ChEMBL Link | CHEMBL233338 |
