General Property |
Molceule ID (DB) | EGIN0000274 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 4 compound |
IUPAC Name | 2-[({4-[(3-bromophenyl)amino]-8H-pyrrolo[3,2-g]quinazolin-6-yl}methyl)(2-hydroxyethyl)amino]ethan-1-ol |
Formula | C21H22BrN5O2 |
Mass | 456.336 |
Exact Mass | 455.0956876 |
Composition | C (55.27%), H (4.86%), Br (17.51%), N (15.35%), O (7.01%) |
Atom Count | 51 |
PI | 11.68 |
Smiles | c12c(cc3c(c1)c(c[nH]3)CN(CCO)CCO)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C21H22BrN5O2/c22-15-2-1-3-16(8-15)26-21-18-9-17-14(12-27(4-6-28)5-7-29)11-23-19(17)10-20(18)24-13
-25-21/h1-3,8-11,13,23,28-29H,4-7,12H2,(H,24,25,26) |
InChIKey | OSXILVFPMQVTSK-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 |
5328292
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Drug Bank Link | - |
ChemSpider Link | 4485457 |
ChEMBL Link | CHEMBL36164 |