General Property |
Molceule ID (DB) | EGIN0005052 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 10 |
IUPAC Name | 2â€[({4â€[(3â€bromophenyl)amino]quinazolinâ€6â€yl}amino)methyl]â€4,6â€dichlorophenol |
Formula | C21H15BrCl2N4O |
Mass | 490.18 |
Exact Mass | 487.980629183 |
Composition | C (51.46%), H (3.08%), Br (16.3%), Cl (14.47%), N (11.43%), O (3.26%) |
Atom Count | 44 |
PI | 5.81 |
Smiles | [H]OC1=C(C([H])=C(Cl)C([H])=C1Cl)C([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/C21H15BrCl2N4O/c22-13-2-1-3-16(7-13)28-21-17-9-15(4-5-19(17)26-11-27-21)25-10-12-6-14(23)8-18(24)
20(12)29/h1-9,11,25,29H,10H2,(H,26,27,28) |
InChIKey | ZSTDSYXUZMSXGI-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0005052.png) | Structure Backbone | ![](./frame/f_EGIN0005052.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 | 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 |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |