General Property |
Molceule ID (DB) | EGIN0000359 |
Inhibitor Class | Diazepine |
Molecule Name in Refrence Article | 4dcompound |
IUPAC Name | N-benzyl-13,14-dimethoxy-2,4,6,9-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
Formula | C20H21N5O2 |
Mass | 363.413 |
Exact Mass | 363.1695249 |
Composition | C (66.1%), H (5.82%), N (19.27%), O (8.81%) |
Atom Count | 48 |
PI | 10.31 |
Smiles | c12c(ncnc1NCc1ccccc1)Nc1c(CN2)cc(c(c1)OC)OC |
InChI | 1S/C20H21N5O2/c1-26-16-8-14-11-21-18-19(22-10-13-6-4-3-5-7-13)23-12-24-20(18)25-15(14)9-17(16)27-2/h
3-9,12,21H,10-11H2,1-2H3,(H2,22,23,24,25) |
InChIKey | SLYLBACSXAVTAA-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000359.png) | Structure Backbone | ![](./frame/f_EGIN0000359.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 | 16887347 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | KDR or VEGFR2 | |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 23276142 |
ChEMBL Link | CHEMBL215191 |