| General Property |
| Molceule ID (DB) | EGIN0003197 |
| Inhibitor Class | Imidazo-pyridine |
| Molecule Name in Refrence Article | 59 compound |
| IUPAC Name | N-cyclopentyl-4-[2-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-1-yl]pyrimidin-2-amine |
| Formula | C26H29FN8 |
| Mass | 472.5605 |
| Exact Mass | 472.2499212 |
| Composition | C (66.08%), H (6.19%), F (4.02%), N (23.71%) |
| Atom Count | 64 |
| PI | 11.51 |
| Smiles | n1(c(nc2nc(N3CCN(CC3)C)ccc12)c1ccc(cc1)F)c1nc(ncc1)NC1CCCC1 |
| InChI | 1S/C26H29FN8/c1-33-14-16-34(17-15-33)22-11-10-21-24(30-22)32-25(18-6-8-19(27)9-7-18)35(21)23-12-13-2
8-26(31-23)29-20-4-2-3-5-20/h6-13,20H,2-5,14-17H2,1H3,(H,28,29,31) |
| InChIKey | BARFMAOTOPEJFY-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 | 15177482 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | c-Abl | CDK1 | c-Kit | c-Met | c-Raf | c-Src | IGF1R | Kdr | TNF alpha/hPBMC | p38 alpha | hJNK1 | hJNK2 | ALL |
| Pub Chem Link |
9826083
|
| Drug Bank Link | - |
| ChemSpider Link | 8001827 |
| ChEMBL Link | CHEMBL120185 |
