General Property |
Molceule ID (DB) | EGIN0000356 |
Inhibitor Class | Diazepine |
Molecule Name in Refrence Article | 4acompound |
IUPAC Name | N-(3-bromophenyl)-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 | C19H18BrN5O2 |
Mass | 428.283 |
Exact Mass | 427.0643875 |
Composition | C (53.28%), H (4.24%), Br (18.66%), N (16.35%), O (7.47%) |
Atom Count | 45 |
PI | 9.77 |
Smiles | c12c(ncnc1Nc1cc(ccc1)Br)Nc1c(CN2)cc(c(c1)OC)OC |
InChI | 1S/C19H18BrN5O2/c1-26-15-6-11-9-21-17-18(24-13-5-3-4-12(20)7-13)22-10-23-19(17)25-14(11)8-16(15)27-2
/h3-8,10,21H,9H2,1-2H3,(H2,22,23,24,25) |
InChIKey | GMVZFARWPGHHOU-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 | No activity data against other kinases present in database |
Pub Chem Link |
11611655
|
Drug Bank Link | - |
ChemSpider Link | 9786410 |
ChEMBL Link | CHEMBL215055 |