| General Property |
| Molceule ID (DB) | EGIN0005059 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 17 |
| IUPAC Name | N‐{4‐[(3‐bromophenyl)amino]quinazolin‐6‐yl}‐4‐chloro‐2‐hydroxybenzamide |
| Formula | C21H14BrClN4O2 |
| Mass | 469.718 |
| Exact Mass | 467.998866066 |
| Composition | C (53.7%), H (3%), Br (17.01%), Cl (7.55%), N (11.93%), O (6.81%) |
| Atom Count | 43 |
| PI | 5.56 |
| Smiles | [H]OC1=C(C([H])=C([H])C(Cl)=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/C21H14BrClN4O2/c22-12-2-1-3-14(8-12)26-20-17-10-15(5-7-18(17)24-11-25-20)27-21(29)16-6-4-13(23)9-
19(16)28/h1-11,28H,(H,27,29)(H,24,25,26) |
| InChIKey | MIODWVCIAXWECX-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
