General Property |
Molceule ID (DB) | EGIN0003422 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 19 compound |
IUPAC Name | 3-(2-chloroethyl)-1-{4-[(3-methylphenyl)amino]quinazolin-6-yl}-3-nitrosourea |
Formula | C18H17ClN6O2 |
Mass | 384.82 |
Exact Mass | 384.1101515 |
Composition | C (56.18%), H (4.45%), Cl (9.21%), N (21.84%), O (8.32%) |
Atom Count | 44 |
PI | 7.87 |
Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)C)NC(=O)N(N=O)CCCl |
InChI | 1S/C18H17ClN6O2/c1-12-3-2-4-13(9-12)22-17-15-10-14(5-6-16(15)20-11-21-17)23-18(26)25(24-27)8-7-19/h2
-6,9-11H,7-8H2,1H3,(H,23,26)(H,20,21,22) |
InChIKey | ONOZVTJDHKAIOL-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003422.png) | Structure Backbone | ![](./frame/f_EGIN0003422.png) |
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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 |
10156890
|
Drug Bank Link | - |
ChemSpider Link | 8332398 |
ChEMBL Link | CHEMBL210502 |