| General Property |
| Molceule ID (DB) | EGIN0004043 |
| Inhibitor Class | Pyridinone |
| Molecule Name in Refrence Article | 3 (BMS-536924) |
| IUPAC Name | 4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-1,3-benzodiazol-2-yl]-1,2-dihydropyridin-2-one |
| Formula | C25H26ClN5O3 |
| Mass | 479.959 |
| Exact Mass | 479.1724174 |
| Composition | C (62.56%), H (5.46%), Cl (7.39%), N (14.59%), O (10%) |
| Atom Count | 60 |
| PI | 6.45 |
| Smiles | O1CCN(CC1)c1cc(c2c(c1)[nH]c(n2)c1c(cc[nH]c1=O)NC[C@H](c1cccc(c1)Cl)O)C |
| InChI | 1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21
(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1 |
| InChIKey | ZWVZORIKUNOTCS-OAQYLSRUSA-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 | 16134929 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Akt1 | CDK2/cyclicE | FAK | IGF1R | IR | Lck | MAPK1 | MAPK2 | Mek | Met | PDGFR | VEGFR2 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 19811176 |
| ChEMBL Link | CHEMBL401930 |
