General Property |
Molceule ID (DB) | EGIN0005058 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 16 |
IUPAC Name | 2,4â€dibromoâ€6â€[({4â€[(3â€chlorophenyl)amino]quinazolinâ€6â€yl}amino)methyl]phenol |
Formula | C21H15Br2ClN4O |
Mass | 534.631 |
Exact Mass | 531.930114123 |
Composition | C (47.18%), H (2.83%), Br (29.89%), Cl (6.63%), N (10.48%), O (2.99%) |
Atom Count | 44 |
PI | 5.94 |
Smiles | [H]OC1=C(Br)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(Cl)=C3[H])C2=C1[H] |
InChI | 1S/C21H15Br2ClN4O/c22-13-6-12(20(29)18(23)7-13)10-25-15-4-5-19-17(9-15)21(27-11-26-19)28-16-3-1-2-14
(24)8-16/h1-9,11,25,29H,10H2,(H,26,27,28) |
InChIKey | UODFSDBPSZSWSX-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 | - |