| General Property |
| Molceule ID (DB) | EGIN0005219 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 12 |
| IUPAC Name | - |
| Formula | C22H17ClN6O2 |
| Mass | 432.862 |
| Exact Mass | 432.110151525 |
| Composition | C (61.04%), H (3.96%), Cl (8.19%), N (19.42%), O (7.39%) |
| Atom Count | 48 |
| PI | 5.23 |
| Smiles | [H]N(C(=O)C([H])([H])C#N)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/C22H17ClN6O2/c1-31-19-7-6-13(27-20(30)8-9-24)10-18(19)28-22-26-12-16(23)21(29-22)15-11-25-17-5-3-
2-4-14(15)17/h2-7,10-12,25H,8H2,1H3,(H,27,30)(H,26,28,29) |
| InChIKey | ONZWYLROLFHDPV-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 | - |
