| General Property |
| Molceule ID (DB) | EGIN0005216 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 9 |
| IUPAC Name | N-[3-[[5-Chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide |
| Formula | C22H18ClN5O2 |
| Mass | 419.864 |
| Exact Mass | 419.114902552 |
| Composition | C (62.93%), H (4.32%), Cl (8.44%), N (16.68%), O (7.62%) |
| Atom Count | 48 |
| PI | 6.47 |
| Smiles | [H]C([H])=C([H])C(=O)N([H])C1=C([H])C([H])=C(OC([H])([H])[H])C(N([H])C2=NC([H])=C(Cl)C(=N2)C2=C([H])N([H])C3=C([H])C([H])=C([H])C([H])=C23)=C1[H] |
| InChI | 1S/C22H18ClN5O2/c1-3-20(29)26-13-8-9-19(30-2)18(10-13)27-22-25-12-16(23)21(28-22)15-11-24-17-7-5-4-6
-14(15)17/h3-12,24H,1H2,2H3,(H,26,29)(H,25,27,28) |
| InChIKey | WIISKNAPHJLZGS-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 | 23930994 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
