General Property |
Molceule ID (DB) | EGIN0001834 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 6 compound |
IUPAC Name | 4-N-(3-bromophenyl)-6-N-(2-chloroethyl)quinazoline-4,6-diamine |
Formula | C16H14BrClN4 |
Mass | 377.666 |
Exact Mass | 376.0090368 |
Composition | C (50.88%), H (3.74%), Br (21.16%), Cl (9.39%), N (14.84%) |
Atom Count | 36 |
PI | 10.52 |
Smiles | c1(c2c(ncn1)ccc(c2)NCCCl)Nc1cc(Br)ccc1 |
InChI | 1S/C16H14BrClN4/c17-11-2-1-3-13(8-11)22-16-14-9-12(19-7-6-18)4-5-15(14)20-10-21-16/h1-5,8-10,19H,6-7
H2,(H,20,21,22) |
InChIKey | NPLZGCKBBUBACR-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001834.png) | Structure Backbone | ![](./frame/f_EGIN0001834.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 | 15686928 |
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 |
11303451
|
Drug Bank Link | - |
ChemSpider Link | 9478427 |
ChEMBL Link | CHEMBL181617 |