| General Property |
| Molceule ID (DB) | EGIN0001006 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 40 compound |
| IUPAC Name | N-[3-(trifluoromethyl)phenyl]-5H,6H,7H,8H,9H-pyrimido[4,5-b]indol-4-amine |
| Formula | C17H15F3N4 |
| Mass | 332.323 |
| Exact Mass | 332.1248811 |
| Composition | C (61.44%), H (4.55%), F (17.15%), N (16.86%) |
| Atom Count | 39 |
| PI | 10.29 |
| Smiles | n1cnc2c(c1Nc1cc(ccc1)C(F)(F)F)c1c([nH]2)CCCC1 |
| InChI | 1S/C17H15F3N4/c18-17(19,20)10-4-3-5-11(8-10)23-15-14-12-6-1-2-7-13(12)24-16(14)22-9-21-15/h3-5,8-9H,
1-2,6-7H2,(H2,21,22,23,24) |
| InChIKey | JCCYHFCPFOFIMP-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 | 8691423 |
| 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 |
10806455
|
| Drug Bank Link | - |
| ChemSpider Link | 8981760 |
| ChEMBL Link | CHEMBL440873 |
