General Property |
Molceule ID (DB) | EGIN0000279 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 9 compound |
IUPAC Name | 2-[({4-[(3-bromophenyl)amino]-8H-pyrrolo[3,2-g]quinazolin-6-yl}methyl)(methyl)amino]acetic acid |
Formula | C20H18BrN5O2 |
Mass | 440.293 |
Exact Mass | 439.0643875 |
Composition | C (54.56%), H (4.12%), Br (18.15%), N (15.91%), O (7.27%) |
Atom Count | 46 |
PI | 6.58 |
Smiles | c12c(cc3c(c1)c(c[nH]3)CN(C)CC(=O)O)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C20H18BrN5O2/c1-26(10-19(27)28)9-12-8-22-17-7-18-16(6-15(12)17)20(24-11-23-18)25-14-4-2-3-13(21)5
-14/h2-8,11,22H,9-10H2,1H3,(H,27,28)(H,23,24,25) |
InChIKey | DBSQOKFNDAENBI-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 | 9154973 |
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 |
5328297
|
Drug Bank Link | - |
ChemSpider Link | 4485462 |
ChEMBL Link | CHEMBL289213 |