| General Property |
| Molceule ID (DB) | EGIN0003154 |
| Inhibitor Class | Naphthylurea |
| Molecule Name in Refrence Article | 17 compound |
| IUPAC Name | 3-(5-tert-butyl-3-methanesulfonamido-2-methoxyphenyl)-1-{4-[6-(morpholin-4-ylmethyl)pyridin-3-yl]naphthalen-1-yl}urea |
| Formula | C33H39N5O5S |
| Mass | 617.758 |
| Exact Mass | 617.2671901 |
| Composition | C (64.16%), H (6.36%), N (11.34%), O (12.95%), S (5.19%) |
| Atom Count | 83 |
| PI | 6.71 |
| Smiles | N(c1cc(cc(c1OC)NS(=O)(=O)C)C(C)(C)C)C(=O)Nc1c2c(c(cc1)c1ccc(nc1)CN1CCOCC1)cccc2 |
| InChI | 1S/C33H39N5O5S/c1-33(2,3)23-18-29(31(42-4)30(19-23)37-44(5,40)41)36-32(39)35-28-13-12-25(26-8-6-7-9-
27(26)28)22-10-11-24(34-20-22)21-38-14-16-43-17-15-38/h6-13,18-20,37H,14-17,21H2,1-5H3,(H2,35,36,39) |
| InChIKey | KLPFPTSVYVEKOL-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 | 19356929 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Lyn | jnk2a2 | VEGFR | HEK | Abl | ECK | EGFR | CSK | PKBa/Akt1 | b-Raf | FGFR | pp60src | c-Raf | ALL |
| Pub Chem Link |
9917045
|
| Drug Bank Link | - |
| ChemSpider Link | 8092692 |
| ChEMBL Link | CHEMBL451523 |
