General Property |
Molceule ID (DB) | EGIN0002045 |
Inhibitor Class | Pyrrolo-pyrimidine |
Molecule Name in Refrence Article | 14 compound |
IUPAC Name | 4-N-(3-chloro-4-fluorophenyl)-6-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
Formula | C20H17ClFN5 |
Mass | 381.834 |
Exact Mass | 381.1156515 |
Composition | C (62.91%), H (4.49%), Cl (9.28%), F (4.98%), N (18.34%) |
Atom Count | 44 |
PI | 10.46 |
Smiles | c1c(cc(c(c1)F)Cl)Nc1c2c([nH]c(c2)CCc2ccccc2)nc(N)n1 |
InChI | 1S/C20H17ClFN5/c21-16-11-14(8-9-17(16)22)25-19-15-10-13(24-18(15)26-20(23)27-19)7-6-12-4-2-1-3-5-12/
h1-5,8-11H,6-7H2,(H4,23,24,25,26,27) |
InChIKey | YQKMPOKWRHBWLE-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0002045.png) | Structure Backbone | ![](./frame/f_EGIN0002045.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 | 18467105 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | VEGFR1 | PDGFR beta | VEGFR2 | ALL |
Pub Chem Link |
44586490
|
Drug Bank Link | - |
ChemSpider Link | 24710619 |
ChEMBL Link | CHEMBL504416 |