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 | |
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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 |