General Property |
Molceule ID (DB) | EGIN0000802 |
Inhibitor Class | Unknown |
Molecule Name in Refrence Article | 32 compound |
IUPAC Name | 1-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}-2-[(4-hydroxy-6-phenylpyrimidin-2-yl)sulfanyl]ethan-1-one |
Formula | C26H21N3O2S |
Mass | 439.529 |
Exact Mass | 439.1354476 |
Composition | C (71.05%), H (4.82%), N (9.56%), O (7.28%), S (7.3%) |
Atom Count | 53 |
PI | 6.72 |
Smiles | C1c2c(N(c3c(C1)cccc3)C(=O)CSc1nc(cc(n1)c1ccccc1)O)cccc2 |
InChI | 1S/C26H21N3O2S/c30-24-16-21(18-8-2-1-3-9-18)27-26(28-24)32-17-25(31)29-22-12-6-4-10-19(22)14-15-20-1
1-5-7-13-23(20)29/h1-13,16H,14-15,17H2,(H,27,28,30) |
InChIKey | LJAWYAFGKHANCU-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000802.png) | Structure Backbone | ![](./frame/f_EGIN0000802.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 | 16413185 |
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 |
1324363
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Drug Bank Link | - |
ChemSpider Link | 1109930 |
ChEMBL Link | CHEMBL378824 |