General Property |
Molceule ID (DB) | EGIN0004589 |
Inhibitor Class | Triazine |
Molecule Name in Refrence Article | 1b |
IUPAC Name | N-(4-chlorophenyl)-1-{[4-(4-chlorophenyl)-6-hydroxy-1,3,5-triazin-2-yl]sulfanyl}formamide |
Formula | C16H10Cl2N4O2S |
Mass | 393.247 |
Exact Mass | 391.9901517 |
Composition | C (48.87%), H (2.56%), Cl (18.03%), N (14.25%), O (8.14%), S (8.15%) |
Atom Count | 35 |
PI | 6.55 |
Smiles | n1c(nc(nc1c1ccc(cc1)Cl)SC(=O)Nc1ccc(cc1)Cl)O |
InChI | 1S/C16H10Cl2N4O2S/c17-10-3-1-9(2-4-10)13-20-14(23)22-15(21-13)25-16(24)19-12-7-5-11(18)6-8-12/h1-8H,
(H,19,24)(H,20,21,22,23) |
InChIKey | XJUQZPUCZKXLGM-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004589.png) | Structure Backbone | ![](./frame/f_EGIN0004589.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 | 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 |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |