| General Property |
| Molceule ID (DB) | EGIN0003493 |
| Inhibitor Class | Biaryl |
| Molecule Name in Refrence Article | 19c compound |
| IUPAC Name | N-{4-methyl-3-[3-(piperidin-4-yl)-1,2-benzoxazol-6-yl]phenyl}-2-(pyrrolidin-1-yl)pyridine-4-carboxamide |
| Formula | C29H31N5O2 |
| Mass | 481.5887 |
| Exact Mass | 481.2477753 |
| Composition | C (72.33%), H (6.49%), N (14.54%), O (6.64%) |
| Atom Count | 67 |
| PI | 10.8 |
| Smiles | c1(cc2c(cc1)c(no2)C1CCNCC1)c1cc(ccc1C)NC(=O)c1cc(ncc1)N1CCCC1 |
| InChI | 1S/C29H31N5O2/c1-19-4-6-23(32-29(35)22-10-13-31-27(17-22)34-14-2-3-15-34)18-25(19)21-5-7-24-26(16-21
)36-33-28(24)20-8-11-30-12-9-20/h4-7,10,13,16-18,20,30H,2-3,8-9,11-12,14-15H2,1H3,(H,32,35) |
| InChIKey | DMTJDVSGJMJVRQ-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 | 18789685 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | JNK3 | CDK2 | VEGFR2 | PLK1 | SGK1 | Raf/Mek/Erk | HWB | PBMC | LCK | cFMS | ALL |
| Pub Chem Link |
44580077
|
| Drug Bank Link | - |
| ChemSpider Link | 24701866 |
| ChEMBL Link | CHEMBL485286 |
