General Property |
Molceule ID (DB) | EGIN0000262 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 2c compound |
IUPAC Name | (2S)-3-{5-[(3-bromophenyl)amino]-1H-pyrazolo[4,3-g]quinazolin-1-yl}propane-1,2-diol |
Formula | C18H16BrN5O2 |
Mass | 414.256 |
Exact Mass | 413.0487374 |
Composition | C (52.19%), H (3.89%), Br (19.29%), N (16.91%), O (7.72%) |
Atom Count | 42 |
PI | 8.64 |
Smiles | c12c(cc3c(c1)cnn3C[C@@H](CO)O)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C18H16BrN5O2/c19-12-2-1-3-13(5-12)23-18-15-4-11-7-22-24(8-14(26)9-25)17(11)6-16(15)20-10-21-18/h1
-7,10,14,25-26H,8-9H2,(H,20,21,23)/t14-/m0/s1 |
InChIKey | YSBALMSOJQNWOI-AWEZNQCLSA-N |
2D Structure | ![](./image/EGIN0000262.png) | Structure Backbone | ![](./frame/f_EGIN0000262.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 |
5328281
|
Drug Bank Link | - |
ChemSpider Link | 4485446 |
ChEMBL Link | CHEMBL37543 |