General Property |
Molceule ID (DB) | EGIN0000695 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 9g compound |
IUPAC Name | (4R,4aS)-4-N-(3-bromophenyl)-7-N,7-N-dimethyl-4H,4aH-pyrido[2,3-d]pyrimidine-4,7-diamine |
Formula | C15H16BrN5 |
Mass | 346.225 |
Exact Mass | 345.0589082 |
Composition | C (52.04%), H (4.66%), Br (23.08%), N (20.23%) |
Atom Count | 37 |
PI | 10.74 |
Smiles | [C@H]12C(=NC=N[C@H]2Nc2cccc(c2)Br)N=C(C=C1)N(C)C |
InChI | 1S/C15H16BrN5/c1-21(2)13-7-6-12-14(17-9-18-15(12)20-13)19-11-5-3-4-10(16)8-11/h3-9,12,14,19H,1-2H3/t
12-,14-/m0/s1 |
InChIKey | RDMRRBLQXQYHNS-JSGCOSHPSA-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 |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | CHEMBL50245 |