| General Property |
| Molceule ID (DB) | EGIN0001835 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 7 compound |
| IUPAC Name | 6-N-(2-chloroethyl)-4-N-(3-chlorophenyl)quinazoline-4,6-diamine |
| Formula | C16H14Cl2N4 |
| Mass | 333.215 |
| Exact Mass | 332.0595519 |
| Composition | C (57.67%), H (4.23%), Cl (21.28%), N (16.81%) |
| Atom Count | 36 |
| PI | 10.48 |
| Smiles | c1(c2c(ncn1)ccc(c2)NCCCl)Nc1cc(Cl)ccc1 |
| InChI | 1S/C16H14Cl2N4/c17-6-7-19-12-4-5-15-14(9-12)16(21-10-20-15)22-13-3-1-2-11(18)8-13/h1-5,8-10,19H,6-7H
2,(H,20,21,22) |
| InChIKey | RGZBNUZXRSSFQM-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 | 15686928 |
| 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 |
44389468
|
| Drug Bank Link | - |
| ChemSpider Link | 23245426 |
| ChEMBL Link | CHEMBL179451 |
