General Property |
Molceule ID (DB) | EGIN0003683 |
Inhibitor Class | Pyrido-pyrimidine |
Molecule Name in Refrence Article | 7b compound |
IUPAC Name | 4-N-(3-chlorophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine |
Formula | C14H12ClN5 |
Mass | 285.732 |
Exact Mass | 285.0781231 |
Composition | C (58.85%), H (4.23%), Cl (12.41%), N (24.51%) |
Atom Count | 32 |
PI | 10.02 |
Smiles | c1(c2c(ncn1)cnc(c2)NC)Nc1cc(Cl)ccc1 |
InChI | 1S/C14H12ClN5/c1-16-13-6-11-12(7-17-13)18-8-19-14(11)20-10-4-2-3-9(15)5-10/h2-8H,1H3,(H,16,17)(H,18,
19,20) |
InChIKey | KYQINICYADKJGN-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003683.png) | Structure Backbone | ![](./frame/f_EGIN0003683.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 | 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 | 4485538 |
ChEMBL Link | CHEMBL166154 |