General Property |
Molceule ID (DB) | EGIN0000686 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 7g compound |
IUPAC Name | (4R,4aS)-4-N-(3-bromophenyl)-6-N,6-N-dimethyl-4H,4aH-pyrido[3,4-d]pyrimidine-4,6-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 | 10.11 |
Smiles | [C@H]12C(=NC=N[C@H]2Nc2cc(ccc2)Br)C=NC(=C1)N(C)C |
InChI | 1S/C15H16BrN5/c1-21(2)14-7-12-13(8-17-14)18-9-19-15(12)20-11-5-3-4-10(16)6-11/h3-9,12,15,20H,1-2H3/t
12-,15+/m1/s1 |
InChIKey | XZDUWUIMSQFLMU-DOMZBBRYSA-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 | CHEMBL53711 |