General Property |
Molceule ID (DB) | EGIN0002335 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 5 compound |
IUPAC Name | 2-imino-5-[(1Z)-2-(2-methoxyphenyl)hex-1-en-1-yl]-2H,3H-furo[2,3-d]pyrimidin-4-amine |
Formula | C19H22N4O2 |
Mass | 338.4036 |
Exact Mass | 338.174276 |
Composition | C (67.44%), H (6.55%), N (16.56%), O (9.46%) |
Atom Count | 47 |
PI | 12.76 |
Smiles | CCCC/C(=C/c1coc2c1c(N)[nH]c(=N)n2)/c1ccccc1OC |
InChI | 1S/C19H22N4O2/c1-3-4-7-12(14-8-5-6-9-15(14)24-2)10-13-11-25-18-16(13)17(20)22-19(21)23-18/h5-6,8-11H
,3-4,7H2,1-2H3,(H4,20,21,22,23)/b12-10- |
InChIKey | OJEFVGFDNJBOHB-BENRWUELSA-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 | 19748785 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | VEGFR2 | PDGFR beta | DHFR human | ALL |
Pub Chem Link |
44246322
|
Drug Bank Link | - |
ChemSpider Link | 26353758 25058842 |
ChEMBL Link | CHEMBL604879 |