General Property |
Molceule ID (DB) | EGIN0000272 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 3g compound |
IUPAC Name | N-(3-bromophenyl)-8-[3-(morpholin-4-yl)propyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine |
Formula | C23H24BrN5O |
Mass | 466.374 |
Exact Mass | 465.1164231 |
Composition | C (59.23%), H (5.19%), Br (17.13%), N (15.02%), O (3.43%) |
Atom Count | 54 |
PI | 11.65 |
Smiles | c12c(cc3c(c1)ccn3CCCN1CCOCC1)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C23H24BrN5O/c24-18-3-1-4-19(14-18)27-23-20-13-17-5-8-29(22(17)15-21(20)25-16-26-23)7-2-6-28-9-11-
30-12-10-28/h1,3-5,8,13-16H,2,6-7,9-12H2,(H,25,26,27) |
InChIKey | NFCOOGUSNHUTQY-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000272.png) | Structure Backbone | ![](./frame/f_EGIN0000272.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 |
5328290
|
Drug Bank Link | - |
ChemSpider Link | 4485455 |
ChEMBL Link | CHEMBL1797418 |