General Property |
Molceule ID (DB) | EGIN0003675 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 5t compound |
IUPAC Name | 4-N-(3-bromophenyl)-6-N-[2-(pyridin-2-yl)ethyl]pyrido[3,4-d]pyrimidine-4,6-diamine |
Formula | C20H17BrN6 |
Mass | 421.293 |
Exact Mass | 420.0698072 |
Composition | C (57.02%), H (4.07%), Br (18.97%), N (19.95%) |
Atom Count | 44 |
PI | 10.36 |
Smiles | c1(c2c(ncn1)cnc(c2)NCCc1ncccc1)Nc1cc(Br)ccc1 |
InChI | 1S/C20H17BrN6/c21-14-4-3-6-16(10-14)27-20-17-11-19(24-12-18(17)25-13-26-20)23-9-7-15-5-1-2-8-22-15/h
1-6,8,10-13H,7,9H2,(H,23,24)(H,25,26,27) |
InChIKey | JGLPCRUFWFOQKT-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 | 9513602 |
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 | 4485531 |
ChEMBL Link | CHEMBL162223 |