General Property |
Molceule ID (DB) | EGIN0000273 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 3h compound |
IUPAC Name | 2-{4-[(3-bromophenyl)amino]-8H-pyrrolo[3,2-g]quinazolin-8-yl}acetic acid |
Formula | C18H13BrN4O2 |
Mass | 397.225 |
Exact Mass | 396.0221883 |
Composition | C (54.43%), H (3.3%), Br (20.12%), N (14.1%), O (8.06%) |
Atom Count | 38 |
PI | 3.96 |
Smiles | c12c(cc3c(c1)ccn3CC(=O)O)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C18H13BrN4O2/c19-12-2-1-3-13(7-12)22-18-14-6-11-4-5-23(9-17(24)25)16(11)8-15(14)20-10-21-18/h1-8,
10H,9H2,(H,24,25)(H,20,21,22) |
InChIKey | CBFIWURGLMUIDN-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000273.png) | Structure Backbone | ![](./frame/f_EGIN0000273.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 | 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 |
5328291
|
Drug Bank Link | - |
ChemSpider Link | 4485456 |
ChEMBL Link | CHEMBL289162 |