General Property |
Molceule ID (DB) | EGIN0000067 |
Inhibitor Class | Benzoxazepine |
Molecule Name in Refrence Article | 2t compound |
IUPAC Name | 13-methoxy-N-(3-phenylphenyl)-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
Formula | C26H22N2O2 |
Mass | 394.4651 |
Exact Mass | 394.168128 |
Composition | C (79.16%), H (5.62%), N (7.1%), O (8.11%) |
Atom Count | 52 |
PI | 7.97 |
Smiles | c12c(cccc1Nc1cc(ccc1)c1ccccc1)Oc1c(CN2)cc(cc1)OC |
InChI | 1S/C26H22N2O2/c1-29-22-13-14-24-20(16-22)17-27-26-23(11-6-12-25(26)30-24)28-21-10-5-9-19(15-21)18-7-
3-2-4-8-18/h2-16,27-28H,17H2,1H3 |
InChIKey | BPDBPLVPRLOWIQ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000067.png) | Structure Backbone | ![](./frame/f_EGIN0000067.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 | 16412636 |
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 | CHEMBL206370 |