General Property |
Molceule ID (DB) | EGIN0000674 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 5c compound |
IUPAC Name | N-{4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin-7-yl}acetamide |
Formula | C15H12BrN5O |
Mass | 358.193 |
Exact Mass | 357.0225227 |
Composition | C (50.3%), H (3.38%), Br (22.31%), N (19.55%), O (4.47%) |
Atom Count | 34 |
PI | 8.34 |
Smiles | c12c(cc(nc1)NC(=O)C)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C15H12BrN5O/c1-9(22)20-14-6-13-12(7-17-14)15(19-8-18-13)21-11-4-2-3-10(16)5-11/h2-8H,1H3,(H,17,20
,22)(H,18,19,21) |
InChIKey | KKLFLZHHIPZMHQ-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 | 8627606 |
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 |
5328250
|
Drug Bank Link | - |
ChemSpider Link | 4485415 |
ChEMBL Link | CHEMBL52418 |