General Property |
Molceule ID (DB) | EGIN0000921 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 32 compound |
IUPAC Name | N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}ethene-1-sulfonamide |
Formula | C15H12BrN5O2S |
Mass | 406.257 |
Exact Mass | 404.989508 |
Composition | C (44.35%), H (2.98%), Br (19.67%), N (17.24%), O (7.88%), S (7.89%) |
Atom Count | 36 |
PI | 6.32 |
Smiles | n1cnc2c(c1Nc1cccc(c1)Br)cc(nc2)NS(=O)(=O)C=C |
InChI | 1S/C15H12BrN5O2S/c1-2-24(22,23)21-14-7-12-13(8-17-14)18-9-19-15(12)20-11-5-3-4-10(16)6-11/h2-9H,1H2,
(H,17,21)(H,18,19,20) |
InChIKey | DECUBVXBHCLQNY-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 | 11462982 |
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 |
5329093
|
Drug Bank Link | - |
ChemSpider Link | 4486255 |
ChEMBL Link | CHEMBL139095 |