General Property |
Molceule ID (DB) | EGIN0000318 |
Inhibitor Class | Oxazepine |
Molecule Name in Refrence Article | 2c compound |
IUPAC Name | N-(4-bromophenyl)-13,14-dimethoxy-2-oxa-4,6,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine |
Formula | C19H17BrN4O3 |
Mass | 429.267 |
Exact Mass | 428.0484031 |
Composition | C (53.16%), H (3.99%), Br (18.61%), N (13.05%), O (11.18%) |
Atom Count | 44 |
PI | 7.96 |
Smiles | c12c(ncnc1Nc1ccc(cc1)Br)Oc1c(CN2)cc(c(c1)OC)OC |
InChI | 1S/C19H17BrN4O3/c1-25-15-7-11-9-21-17-18(24-13-5-3-12(20)4-6-13)22-10-23-19(17)27-14(11)8-16(15)26-2
/h3-8,10,21H,9H2,1-2H3,(H,22,23,24) |
InChIKey | JUHZTQQKQKFEMN-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 | 23276123 |
ChEMBL Link | CHEMBL385015 |