General Property |
Molceule ID (DB) | EGIN0004715 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 21 |
IUPAC Name | 4-N-(3-bromophenyl)-6-N-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-ylmethyl)quinazoline-4,6-diamine |
Formula | C25H23BrN4O2 |
Mass | 491.38 |
Exact Mass | 490.1004386 |
Composition | C (61.11%), H (4.72%), Br (16.26%), N (11.4%), O (6.51%) |
Atom Count | 55 |
PI | 10.52 |
Smiles | c1c2OCCCCOc2cc(c1)CNc1cc2c(cc1)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C25H23BrN4O2/c26-18-4-3-5-20(13-18)30-25-21-14-19(7-8-22(21)28-16-29-25)27-15-17-6-9-23-24(12-17)
32-11-2-1-10-31-23/h3-9,12-14,16,27H,1-2,10-11,15H2,(H,28,29,30) |
InChIKey | DETZDVAAKPADRG-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004715.png) | Structure Backbone | ![](./frame/f_EGIN0004715.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 | 22901387 |
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 |
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Drug Bank Link | - |
ChemSpider Link | 28512128 |
ChEMBL Link | - |