General Property |
Molceule ID (DB) | EGIN0005053 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 11 |
IUPAC Name | 4â€bromoâ€2â€[({4â€[(3â€bromophenyl)amino]quinazolinâ€6â€yl}amino)methyl]phenol |
Formula | C21H16Br2N4O |
Mass | 500.186 |
Exact Mass | 497.969086448 |
Composition | C (50.43%), H (3.22%), Br (31.95%), N (11.2%), O (3.2%) |
Atom Count | 44 |
PI | 6.62 |
Smiles | [H]OC1=C([H])C([H])=C(Br)C([H])=C1C([H])([H])N([H])C1=C([H])C([H])=C2N=C([H])N=C(N([H])C3=C([H])C([H])=C([H])C(Br)=C3[H])C2=C1[H] |
InChI | 1S/C21H16Br2N4O/c22-14-2-1-3-17(9-14)27-21-18-10-16(5-6-19(18)25-12-26-21)24-11-13-8-15(23)4-7-20(13
)28/h1-10,12,24,28H,11H2,(H,25,26,27) |
InChIKey | NRDHHPWPCCFGJS-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0005053.png) | Structure Backbone | ![](./frame/f_EGIN0005053.png) |
|
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 | 23936329 |
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 |
-
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |