General Property |
Molceule ID (DB) | EGIN0003427 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 24 compound |
IUPAC Name | 1-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-3-(2-chloroethyl)-1-methyl-3-nitrosourea |
Formula | C18H16BrClN6O2 |
Mass | 463.716 |
Exact Mass | 462.0206641 |
Composition | C (46.62%), H (3.48%), Br (17.23%), Cl (7.65%), N (18.12%), O (6.9%) |
Atom Count | 44 |
PI | 9.75 |
Smiles | c1(ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br)N(C(=O)N(N=O)CCCl)C |
InChI | 1S/C18H16BrClN6O2/c1-25(18(27)26(24-28)8-7-20)14-5-6-16-15(10-14)17(22-11-21-16)23-13-4-2-3-12(19)9-
13/h2-6,9-11H,7-8H2,1H3,(H,21,22,23) |
InChIKey | ZLJXNOJTRKIARN-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003427.png) | Structure Backbone | ![](./frame/f_EGIN0003427.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 |
11554463
|
Drug Bank Link | - |
ChemSpider Link | 9729241 |
ChEMBL Link | CHEMBL210893 |