| General Property |
| Molceule ID (DB) | EGIN0002360 |
| Inhibitor Class | pyrimidinone |
| Molecule Name in Refrence Article | 40 compound |
| IUPAC Name | 2-(2-methoxy-4-{12-methyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),4,9,11-pentaen-5-yl}phenoxy)acetic acid |
| Formula | C20H16N2O5S |
| Mass | 396.416 |
| Exact Mass | 396.0779923 |
| Composition | C (60.6%), H (4.07%), N (7.07%), O (20.18%), S (8.09%) |
| Atom Count | 44 |
| PI | 6.39 |
| Smiles | C(=O)(COc1c(cc(cc1)c1[nH]c2c(c(=O)n1)c1c(s2)ccc(c1)C)OC)O |
| InChI | 1S/C20H16N2O5S/c1-10-3-6-15-12(7-10)17-19(25)21-18(22-20(17)28-15)11-4-5-13(14(8-11)26-2)27-9-16(23)
24/h3-8H,9H2,1-2H3,(H,23,24)(H,21,22,25) |
| InChIKey | ZSHHZCRNJBWKKT-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 | 20121196 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | FGFR1 | Src | ALL |
| Pub Chem Link |
45103907
|
| Drug Bank Link | - |
| ChemSpider Link | 24650065 |
| ChEMBL Link | CHEMBL599388 |
