General Property |
Molceule ID (DB) | EGIN0000304 |
Inhibitor Class | Anilino-pyrido-pyrimidine |
Molecule Name in Refrence Article | 30 compound |
IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}hex-2-ynamide |
Formula | C19H15ClFN5O |
Mass | 383.807 |
Exact Mass | 383.094916 |
Composition | C (59.46%), H (3.94%), Cl (9.24%), F (4.95%), N (18.25%), O (4.17%) |
Atom Count | 42 |
PI | 7.99 |
Smiles | c12c(cnc(c1)NC(=O)C#CCCC)ncnc2Nc1cc(c(cc1)F)Cl |
InChI | 1S/C19H15ClFN5O/c1-2-3-4-5-18(27)26-17-9-13-16(10-22-17)23-11-24-19(13)25-12-6-7-15(21)14(20)8-12/h6
-11H,2-3H2,1H3,(H,22,26,27)(H,23,24,25) |
InChIKey | ISEHGRGNSOYPTL-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
|
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 | 16480284 |
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 |
11632391
|
Drug Bank Link | - |
ChemSpider Link | 9807136 |
ChEMBL Link | CHEMBL203645 |