General Property |
Molceule ID (DB) | EGIN0000694 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 9f compound |
IUPAC Name | (4R,4aS)-4-N-(3-bromophenyl)-7-N-methyl-4H,4aH-pyrido[2,3-d]pyrimidine-4,7-diamine |
Formula | C14H14BrN5 |
Mass | 332.198 |
Exact Mass | 331.0432581 |
Composition | C (50.62%), H (4.25%), Br (24.05%), N (21.08%) |
Atom Count | 34 |
PI | 10.71 |
Smiles | [C@H]12C(=NC=N[C@H]2Nc2cccc(c2)Br)N=C(C=C1)NC |
InChI | 1S/C14H14BrN5/c1-16-12-6-5-11-13(17-8-18-14(11)20-12)19-10-4-2-3-9(15)7-10/h2-8,11,13,19H,1H3,(H,16,
17,18,20)/t11-,13-/m0/s1 |
InChIKey | HNDXWQLRPSZOEV-AAEUAGOBSA-N |
2D Structure | | Structure Backbone | |
|
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 |
-
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | CHEMBL298637 |