General Property |
Molceule ID (DB) | EGIN0000357 |
Inhibitor Class | Diazepine |
Molecule Name in Refrence Article | 4bcompound |
IUPAC Name | N-[(3-chloro-4-fluorophenyl)methyl]-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 | C20H19ClFN5O2 |
Mass | 415.849 |
Exact Mass | 415.1211308 |
Composition | C (57.76%), H (4.61%), Cl (8.53%), F (4.57%), N (16.84%), O (7.69%) |
Atom Count | 48 |
PI | 10.31 |
Smiles | c12c(ncnc1NCc1ccc(c(c1)Cl)F)Nc1c(CN2)cc(c(c1)OC)OC |
InChI | 1S/C20H19ClFN5O2/c1-28-16-6-12-9-23-18-19(24-8-11-3-4-14(22)13(21)5-11)25-10-26-20(18)27-15(12)7-17(
16)29-2/h3-7,10,23H,8-9H2,1-2H3,(H2,24,25,26,27) |
InChIKey | UAMSEIYEHHABIH-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000357.png) | Structure Backbone | ![](./frame/f_EGIN0000357.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 | 23276115 |
ChEMBL Link | CHEMBL376089 |