General Property |
Molceule ID (DB) | EGIN0004910 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 51 |
IUPAC Name | N-(3-chloro-4-fluorophenyl)-6-[(1H-indol-2-yl)carbonyl]-N-methylthieno[2,3-d]pyrimidin-4-amine |
Formula | C22H14ClFN4OS |
Mass | 436.889 |
Exact Mass | 436.0560877 |
Composition | C (60.48%), H (3.23%), Cl (8.11%), F (4.35%), N (12.82%), O (3.66%), S (7.34%) |
Atom Count | 44 |
PI | 7.31 |
Smiles | CN(c1cc(Cl)c(F)cc1)c1c2cc(sc2ncn1)C(=O)c1cc2ccccc2[nH]1 |
InChI | 1S/C22H14ClFN4OS/c1-28(13-6-7-16(24)15(23)9-13)21-14-10-19(30-22(14)26-11-25-21)20(29)18-8-12-4-2-3-
5-17(12)27-18/h2-11,27H,1H3 |
InChIKey | NTTSBRQVYORONV-UHFFFAOYSA-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 | 22169601 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | VEGFR2 | |
Pub Chem Link |
57400568
|
Drug Bank Link | - |
ChemSpider Link | 28429803 |
ChEMBL Link | CHEMBL1928313 |