| General Property |
| Molceule ID (DB) | EGIN0004155 |
| Inhibitor Class | Benzo-diazole |
| Molecule Name in Refrence Article | 10 (BMS-695735) |
| IUPAC Name | 4-{[2-(4-chloro-1H-pyrazol-1-yl)ethyl]amino}-3-{6-[1-(3-fluoropropyl)piperidin-4-yl]-4-methyl-1H-1,3-benzodiazol-2-yl}-1,2-dihydropyridin-2-one |
| Formula | C26H31ClFN7O |
| Mass | 512.022 |
| Exact Mass | 511.2262646 |
| Composition | C (60.99%), H (6.1%), Cl (6.92%), F (3.71%), N (19.15%), O (3.12%) |
| Atom Count | 67 |
| PI | 9.2 |
| Smiles | c1(cc(c2c(c1)[nH]c(n2)c1c(cc[nH]c1=O)NCCn1cc(cn1)Cl)C)C1CCN(CC1)CCCF |
| InChI | 1S/C26H31ClFN7O/c1-17-13-19(18-4-10-34(11-5-18)9-2-6-28)14-22-24(17)33-25(32-22)23-21(3-7-30-26(23)3
6)29-8-12-35-16-20(27)15-31-35/h3,7,13-16,18H,2,4-6,8-12H2,1H3,(H,32,33)(H2,29,30,36) |
| InChIKey | VWELCPLMPPEKOL-UHFFFAOYSA-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 | 18763755 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | FGFR1 | IKK | MK2 | PKC alpha | Lck | FAK | PKC delta | P38 | IGF1R | KDR | Emt | PKA-B | Met | PDE4 | Akt | CDK2 | IR | GSK-3 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23344131 |
| ChEMBL Link | CHEMBL459729 |
