General Property |
Molceule ID (DB) | EGIN0000270 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 3e compound |
IUPAC Name | N-(3-bromophenyl)-8-[3-(dimethylamino)propyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine |
Formula | C21H22BrN5 |
Mass | 424.337 |
Exact Mass | 423.1058584 |
Composition | C (59.44%), H (5.23%), Br (18.83%), N (16.5%) |
Atom Count | 49 |
PI | 12.6 |
Smiles | N(C)(C)CCCn1c2cc3c(cc2cc1)c(ncn3)Nc1cccc(c1)Br |
InChI | 1S/C21H22BrN5/c1-26(2)8-4-9-27-10-7-15-11-18-19(13-20(15)27)23-14-24-21(18)25-17-6-3-5-16(22)12-17/h
3,5-7,10-14H,4,8-9H2,1-2H3,(H,23,24,25) |
InChIKey | KSESIAIRSPHRBJ-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
|
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 |
5328288
|
Drug Bank Link | - |
ChemSpider Link | 4485453 |
ChEMBL Link | CHEMBL287289 |