General Property |
Molceule ID (DB) | EGIN0000681 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 7a compound |
IUPAC Name | (4R,4aS)-N-(3-bromophenyl)-4H,4aH-pyrido[3,4-d]pyrimidin-4-amine |
Formula | C13H11BrN4 |
Mass | 303.157 |
Exact Mass | 302.016709 |
Composition | C (51.5%), H (3.66%), Br (26.36%), N (18.48%) |
Atom Count | 29 |
PI | 9.42 |
Smiles | [C@H]12C(=NC=N[C@H]2Nc2cc(ccc2)Br)C=NC=C1 |
InChI | 1S/C13H11BrN4/c14-9-2-1-3-10(6-9)18-13-11-4-5-15-7-12(11)16-8-17-13/h1-8,11,13,18H/t11-,13+/m1/s1 |
InChIKey | JDOBGCPBIMXTBY-YPMHNXCESA-N |
2D Structure | ![](./image/EGIN0000681.png) | Structure Backbone | ![](./frame/f_EGIN0000681.png) |
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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 | CHEMBL51265 |