| General Property |
| Molceule ID (DB) | EGIN0000358 |
| Inhibitor Class | Diazepine |
| Molecule Name in Refrence Article | 4ccompound |
| IUPAC Name | 13,14-dimethoxy-N-[(3-methoxyphenyl)methyl]-2,4,6,9-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
| Formula | C21H23N5O3 |
| Mass | 393.439 |
| Exact Mass | 393.1800896 |
| Composition | C (64.11%), H (5.89%), N (17.8%), O (12.2%) |
| Atom Count | 52 |
| PI | 10.31 |
| Smiles | c12c(ncnc1NCc1cccc(c1)OC)Nc1c(CN2)cc(c(c1)OC)OC |
| InChI | 1S/C21H23N5O3/c1-27-15-6-4-5-13(7-15)10-23-20-19-21(25-12-24-20)26-16-9-18(29-3)17(28-2)8-14(16)11-2
2-19/h4-9,12,22H,10-11H2,1-3H3,(H2,23,24,25,26) |
| InChIKey | RDWCIHJLPRFOAX-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 | 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 | 23276116 |
| ChEMBL Link | CHEMBL216039 |
