General Property |
Molceule ID (DB) | EGIN0001066 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 19 compound |
IUPAC Name | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-methoxybut-2-enamide |
Formula | C19H17BrN4O2 |
Mass | 413.268 |
Exact Mass | 412.0534885 |
Composition | C (55.22%), H (4.15%), Br (19.33%), N (13.56%), O (7.74%) |
Atom Count | 43 |
PI | 9.13 |
Smiles | c12c(ccc(c1)NC(=O)/C=C/COC)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C19H17BrN4O2/c1-26-9-3-6-18(25)23-15-7-8-17-16(11-15)19(22-12-21-17)24-14-5-2-4-13(20)10-14/h2-8,
10-12H,9H2,1H3,(H,23,25)(H,21,22,24)/b6-3+ |
InChIKey | VHGGLPYMJXZJFI-ZZXKWVIFSA-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 | 11495584 |
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 |
5328983
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Drug Bank Link | - |
ChemSpider Link | 4486145 |
ChEMBL Link | CHEMBL92882 |