General Property |
Molceule ID (DB) | EGIN0005060 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 18 |
IUPAC Name | 5â€bromoâ€Nâ€{4â€[(3â€bromophenyl)amino]quinazolinâ€6â€yl}â€2â€hydroxybenzamide |
Formula | C21H14Br2N4O2 |
Mass | 514.169 |
Exact Mass | 511.948351006 |
Composition | C (49.05%), H (2.74%), Br (31.08%), N(10.9%), O(6.22%) |
Atom Count | 43 |
PI | 5.72 |
Smiles | [H]OC1=C(C([H])=C(Br)C([H])=C1[H])C(=O)N([H])C1=C([H])C([H])=C2N=C([H])N=C(N([H])C3=C([H])C(Br)=C([H])C([H])=C3[H])C2=C1[H] |
InChI | 1S/C21H14Br2N4O2/c22-12-2-1-3-14(8-12)26-20-16-10-15(5-6-18(16)24-11-25-20)27-21(29)17-9-13(23)4-7-1
9(17)28/h1-11,28H,(H,27,29)(H,24,25,26) |
InChIKey | FIMFHZYYMMOKHJ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0005060.png) | Structure Backbone | ![](./frame/f_EGIN0005060.png) |
|
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 | 23936329 |
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 |
-
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |