| General Property |
| Molceule ID (DB) | EGIN0003305 |
| Inhibitor Class | Imidazo-quinoxaline |
| Molecule Name in Refrence Article | 4 (BMS-279700) |
| IUPAC Name | N-(2-chloro-6-methylphenyl)-12-[(3S)-3-methylpiperazin-1-yl]-2,4,8,13-tetraazatricyclo[7.4.0.0^{2,6}]trideca-1(13),3,5,7,9,11-hexaen-7-amine |
| Formula | C21H22ClN7 |
| Mass | 407.899 |
| Exact Mass | 407.1625214 |
| Composition | C (61.84%), H (5.44%), Cl (8.69%), N (24.04%) |
| Atom Count | 51 |
| PI | 11.22 |
| Smiles | n12c(c(nc3c1nc(N1C[C@@H](NCC1)C)cc3)Nc1c(Cl)cccc1C)cnc2 |
| InChI | 1S/C21H22ClN7/c1-13-4-3-5-15(22)19(13)27-20-17-10-23-12-29(17)21-16(25-20)6-7-18(26-21)28-9-8-24-14(
2)11-28/h3-7,10,12,14,24H,8-9,11H2,1-2H3,(H,25,27)/t14-/m0/s1 |
| InChIKey | PUNYTBZWCMNSRO-AWEZNQCLSA-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 | 15317463 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Blk | CDK | Fgr | Fyn | Hck | HER1 | HER2 | IKK1 | IKK2 | Lck | Lyn | p38 | PDGFR | PKA | PKC | Src | Syk | VEGFR | Yes | Zap70 | Lck | Lck | ALL |
| Pub Chem Link |
9844320
|
| Drug Bank Link | - |
| ChemSpider Link | 8020035 |
| ChEMBL Link | CHEMBL189338 |
