General Property |
Molceule ID (DB) | EGIN0004987 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 2 |
IUPAC Name | 4â€[(6â€bromoquinazolinâ€4â€yl)amino]phenol |
Formula | C14H10BrN3O |
Mass | 316.153 |
Exact Mass | 315.000724604 |
Composition | C (53.19%), H (3.19%), Br (25.27%), N(13.29%), O (5.06%) |
Atom Count | 29 |
PI | 6.71 |
Smiles | [H]N(C1=CC([H])=C(O)C([H])=C1[H])C1=NC([H])=NC2=C1C([H])=C(Br)C([H])=C2[H] |
InChI | 1S/C14H10BrN3O/c15-9-1-6-13-12(7-9)14(17-8-16-13)18-10-2-4-11(19)5-3-10/h1-8,19H,(H,16,17,18) |
InChIKey | NUEYAAFFKDXSJP-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004987.png) | Structure Backbone | ![](./frame/f_EGIN0004987.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 | 22607878 |
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 |
709497
|
Drug Bank Link | - |
ChemSpider Link | 618705 |
ChEMBL Link | CHEMBL1778712 |