| General Property |
| Molceule ID (DB) | EGIN0002326 |
| Inhibitor Class | Triazene |
| Molecule Name in Refrence Article | 9 (ZRL3) |
| IUPAC Name | (6E)-6-N-({[(2-chloroethoxy)carbonyl](methyl)amino}imino)-4-N-(3-chlorophenyl)quinazoline-4,6-diamine |
| Formula | C18H16Cl2N6O2 |
| Mass | 419.265 |
| Exact Mass | 418.0711792 |
| Composition | C (51.56%), H (3.85%), Cl (16.91%), N (20.04%), O (7.63%) |
| Atom Count | 44 |
| PI | 9.03 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)/N=N/N(C(=O)OCCCl)C |
| InChI | 1S/C18H16Cl2N6O2/c1-26(18(27)28-8-7-19)25-24-14-5-6-16-15(10-14)17(22-11-21-16)23-13-4-2-3-12(20)9-1
3/h2-6,9-11H,7-8H2,1H3,(H,21,22,23)/b25-24+ |
| InChIKey | IXOOKZDXBGVSQT-OCOZRVBESA-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 | 19665377 |
| 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 | 24634541 |
| ChEMBL Link | CHEMBL570918 |
