General Property |
Molceule ID (DB) | EGIN0000278 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 8 compound |
IUPAC Name | methyl 2-[({4-[(3-bromophenyl)amino]-8H-pyrrolo[3,2-g]quinazolin-6-yl}methyl)(methyl)amino]acetate |
Formula | C21H20BrN5O2 |
Mass | 454.32 |
Exact Mass | 453.0800376 |
Composition | C (55.52%), H (4.44%), Br (17.59%), N (15.42%), O (7.04%) |
Atom Count | 49 |
PI | 10.8 |
Smiles | c12c(cc3c(c1)c(c[nH]3)CN(C)CC(=O)OC)ncnc2Nc1cccc(c1)Br |
InChI | 1S/C21H20BrN5O2/c1-27(11-20(28)29-2)10-13-9-23-18-8-19-17(7-16(13)18)21(25-12-24-19)26-15-5-3-4-14(2
2)6-15/h3-9,12,23H,10-11H2,1-2H3,(H,24,25,26) |
InChIKey | OHXRQVMKFRLRKO-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0000278.png) | Structure Backbone | ![](./frame/f_EGIN0000278.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 |
5328296
|
Drug Bank Link | - |
ChemSpider Link | 4485461 |
ChEMBL Link | CHEMBL39715 |