General Property |
Molceule ID (DB) | EGIN0004582 |
Inhibitor Class | Triazine |
Molecule Name in Refrence Article | 1e |
IUPAC Name | 6-chloro-2-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine |
Formula | C15H14ClN5O2 |
Mass | 331.757 |
Exact Mass | 331.0836024 |
Composition | C (54.3%), H (4.25%), Cl (10.69%), N (21.11%), O (9.65%) |
Atom Count | 37 |
PI | 7.37 |
Smiles | n1c(nc(nc1Nc1ccc(cc1)OC)NCc1occc1)Cl |
InChI | 1S/C15H14ClN5O2/c1-22-11-6-4-10(5-7-11)18-15-20-13(16)19-14(21-15)17-9-12-3-2-8-23-12/h2-8H,9H2,1H3,
(H2,17,18,19,20,21) |
InChIKey | JQUZWLQYKFCDGT-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004582.png) | Structure Backbone | ![](./frame/f_EGIN0004582.png) |
|
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 | 22227214 |
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 |
694087
|
Drug Bank Link | - |
ChemSpider Link | 604686 |
ChEMBL Link | CHEMBL1348499 |