| General Property |
| Molceule ID (DB) | EGIN0003164 |
| Inhibitor Class | Benzo-triazine |
| Molecule Name in Refrence Article | 42 compound |
| IUPAC Name | 7-(2,6-dimethylphenyl)-5-methyl-N-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1,2,4-benzotriazin-3-amine |
| Formula | C28H31N5O |
| Mass | 453.5786 |
| Exact Mass | 453.2528606 |
| Composition | C (74.14%), H (6.89%), N (15.44%), O (3.53%) |
| Atom Count | 65 |
| PI | 10.96 |
| Smiles | c1(cc(c2c(c1)nnc(n2)Nc1ccc(cc1)OCCN1CCCC1)C)c1c(cccc1C)C |
| InChI | 1S/C28H31N5O/c1-19-7-6-8-20(2)26(19)22-17-21(3)27-25(18-22)31-32-28(30-27)29-23-9-11-24(12-10-23)34-
16-15-33-13-4-5-14-33/h6-12,17-18H,4-5,13-16H2,1-3H3,(H,29,30,32) |
| InChIKey | YJSFAHMGDRBZGH-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 | 16931012 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Yes | Lck | Blk | Abl | Lyn | Fyn | p70S6K | VEGFr2 | Abl | PDGFrb | Src | EphB4 | CSK | Tie2 | Raf1 | Raf1-MEK1 | FGFr1 | EGFr | ALL |
| Pub Chem Link |
11719421
|
| Drug Bank Link | - |
| ChemSpider Link | 9894139 |
| ChEMBL Link | CHEMBL436137 |
