General Property |
Molceule ID (DB) | EGIN0003656 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 5a compound |
IUPAC Name | 4-N-(3-bromophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine |
Formula | C13H10BrN5 |
Mass | 316.156 |
Exact Mass | 315.011958 |
Composition | C (49.39%), H (3.19%), Br (25.27%), N (22.15%) |
Atom Count | 29 |
PI | 10.06 |
Smiles | c1(c2c(ncn1)cnc(c2)N)Nc1cc(Br)ccc1 |
InChI | 1S/C13H10BrN5/c14-8-2-1-3-9(4-8)19-13-10-5-12(15)16-6-11(10)17-7-18-13/h1-7H,(H2,15,16)(H,17,18,19) |
InChIKey | TWTYLCVLKNHZDT-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 | 4485423 |
ChEMBL Link | CHEMBL51853 |