| General Property |
| Molceule ID (DB) | EGIN0005214 |
| Inhibitor Class | Pyrimidine |
| Molecule Name in Refrence Article | 7 |
| IUPAC Name | 1-[4-[4-[[5-Chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone |
| Formula | C25H25ClN6O2 |
| Mass | 476.958 |
| Exact Mass | 476.172751781 |
| Composition | C (62.95%), H (5.28%), Cl (7.43%), N (17.62%), O (6.71%) |
| Atom Count | 59 |
| PI | 8.24 |
| Smiles | [H]N(C1=NC([H])=C(Cl)C(=N1)C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C(C([H])=C1OC([H])([H])[H])N1C([H])([H])C([H])([H])N(C(=O)C([H])([H])[H])C([H])([H])C1([H])[H] |
| InChI | 1S/C25H25ClN6O2/c1-16(33)31-9-11-32(12-10-31)17-7-8-22(23(13-17)34-2)29-25-28-15-20(26)24(30-25)19-1
4-27-21-6-4-3-5-18(19)21/h3-8,13-15,27H,9-12H2,1-2H3,(H,28,29,30) |
| InChIKey | VFZGFLQJVHZUBY-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 | 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 | - |
