| General Property |
| Molceule ID (DB) | EGIN0001082 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3j compound |
| IUPAC Name | (7R)-N-(3-chlorophenyl)-7-[2-(piperazin-1-yl)ethyl]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-4-amine |
| Formula | C22H24ClN5O2 |
| Mass | 425.911 |
| Exact Mass | 425.1618527 |
| Composition | C (62.04%), H (5.68%), Cl (8.32%), N (16.44%), O (7.51%) |
| Atom Count | 54 |
| PI | 12.57 |
| Smiles | c12c(cc3c(c1)O[C@@H](CO3)CCN1CCNCC1)ncnc2Nc1cc(ccc1)Cl |
| InChI | 1S/C22H24ClN5O2/c23-15-2-1-3-16(10-15)27-22-18-11-21-20(12-19(18)25-14-26-22)29-13-17(30-21)4-7-28-8
-5-24-6-9-28/h1-3,10-12,14,17,24H,4-9,13H2,(H,25,26,27)/t17-/m1/s1 |
| InChIKey | RTZHSSVCIWWSCY-QGZVFWFLSA-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 | 0 |
| 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 | - |
