General Property |
Molceule ID (DB) | EGIN0005051 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 9 |
IUPAC Name | 2â€[({4â€[(3â€bromophenyl)amino]quinazolinâ€6â€yl}amino)methyl]â€4â€chlorophenol |
Formula | C21H16BrClN4O |
Mass | 455.735 |
Exact Mass | 454.019601508 |
Composition | C (55.34%), H (3.54%), Br (17.53%), Cl (7.78%), N (12.29%), O (3.51%) |
Atom Count | 44 |
PI | 6.56 |
Smiles | [H]OC1=C(C([H])=C(Cl)C([H])=C1[H])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/C21H16BrClN4O/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(1
3)28/h1-10,12,24,28H,11H2,(H,25,26,27) |
InChIKey | HAMPNQBDWBFVKS-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0005051.png) | Structure Backbone | ![](./frame/f_EGIN0005051.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 | - |