| General Property |
| Molceule ID (DB) | EGIN0004769 |
| Inhibitor Class | Unknown |
| Molecule Name in Refrence Article | 14 |
| IUPAC Name | 2-phenyl-6-sulfanyl-5,7,8,10,12-pentaazapentacyclo[11.8.0.0^{3,11}.0^{5,9}.0^{14,19}]henicosa-1(13),2,6,9,11,14(19),15,17-octaen-4-one |
| Formula | C22H15N5OS |
| Mass | 397.452 |
| Exact Mass | 397.0997308 |
| Composition | C (66.48%), H (3.8%), N (17.62%), O (4.03%), S (8.07%) |
| Atom Count | 44 |
| PI | 2.3 |
| Smiles | c12ccccc1c1c(CC2)c(c2c(n1)nc1n(c2=O)c(n[nH]1)S)c1ccccc1 |
| InChI | 1S/C22H15N5OS/c28-20-17-16(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)18(15)23-19(17)24-21-25-26-22(2
9)27(20)21/h1-9H,10-11H2,(H,26,29)(H,23,24,25) |
| InChIKey | VCBSEOHFTXIIDG-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 | 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 |
15942947
|
| Drug Bank Link | - |
| ChemSpider Link | 13085586 |
| ChEMBL Link | CHEMBL1944930 |
