| General Property |
| Molceule ID (DB) | EGIN0003425 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 22 compound |
| IUPAC Name | 3-(2-chloroethyl)-1-methyl-1-{4-[(3-methylphenyl)amino]quinazolin-6-yl}-3-nitrosourea |
| Formula | C19H19ClN6O2 |
| Mass | 398.846 |
| Exact Mass | 398.1258016 |
| Composition | C (57.22%), H (4.8%), Cl (8.89%), N (21.07%), O (8.02%) |
| Atom Count | 47 |
| PI | 9.98 |
| Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)C)N(C(=O)N(N=O)CCCl)C |
| InChI | 1S/C19H19ClN6O2/c1-13-4-3-5-14(10-13)23-18-16-11-15(6-7-17(16)21-12-22-18)25(2)19(27)26(24-28)9-8-20
/h3-7,10-12H,8-9H2,1-2H3,(H,21,22,23) |
| InChIKey | NFRDLORGBPIOJT-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 | 16759097 |
| 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 |
10200918
|
| Drug Bank Link | - |
| ChemSpider Link | 8376417 |
| ChEMBL Link | CHEMBL209818 |
