General Property |
Molceule ID (DB) | EGIN0003102 |
Inhibitor Class | Pyrimidine |
Molecule Name in Refrence Article | 17 compound |
IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-methyl-5-[5-(morpholin-4-yl)pent-1-yn-1-yl]pyrimidin-4-amine |
Formula | C27H28ClFN4O2 |
Mass | 494.988 |
Exact Mass | 494.1884821 |
Composition | C (65.51%), H (5.7%), Cl (7.16%), F (3.84%), N (11.32%), O (6.46%) |
Atom Count | 63 |
PI | 11.51 |
Smiles | c1(c(ncnc1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)C)C#CCCCN1CCOCC1 |
InChI | 1S/C27H28ClFN4O2/c1-20-24(8-3-2-4-11-33-12-14-34-15-13-33)27(31-19-30-20)32-23-9-10-26(25(28)17-23)3
5-18-21-6-5-7-22(29)16-21/h5-7,9-10,16-17,19H,2,4,11-15,18H2,1H3,(H,30,31,32) |
InChIKey | QVKVCKWOXKTLCP-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0003102.png) | Structure Backbone | ![](./frame/f_EGIN0003102.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 | 21334203 |
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 |
53319790
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Drug Bank Link | - |
ChemSpider Link | 26387329 |
ChEMBL Link | CHEMBL1683961 |