General Property |
Molceule ID (DB) | EGIN0000328 |
Inhibitor Class | Oxazepine |
Molecule Name in Refrence Article | 2m compound |
IUPAC Name | N-(3-chloro-2-fluorophenyl)-13,14-dimethoxy-5-methyl-2-oxa-4,6,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
Formula | C20H18ClFN4O3 |
Mass | 416.833 |
Exact Mass | 416.1051464 |
Composition | C (57.63%), H (4.35%), Cl (8.51%), F (4.56%), N (13.44%), O (11.51%) |
Atom Count | 47 |
PI | 8.25 |
Smiles | c12c(nc(nc1Nc1c(c(ccc1)Cl)F)C)Oc1c(CN2)cc(c(c1)OC)OC |
InChI | 1S/C20H18ClFN4O3/c1-10-24-19(26-13-6-4-5-12(21)17(13)22)18-20(25-10)29-14-8-16(28-3)15(27-2)7-11(14)
9-23-18/h4-8,23H,9H2,1-3H3,(H,24,25,26) |
InChIKey | MTSNGHVNGCZYBV-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000328.png) | Structure Backbone | ![](./frame/f_EGIN0000328.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 | 23276015 |
ChEMBL Link | CHEMBL386052 |