General Property |
Molceule ID (DB) | EGIN0005065 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 23 |
IUPAC Name | 4â€chloroâ€Nâ€{4â€[(3â€chlorophenyl)amino]quinazolinâ€6â€yl}â€2â€hydroxybenzamide |
Formula | C21H14Cl2N4O2 |
Mass | 425.267 |
Exact Mass | 424.049381126 |
Composition | C (59.31%), H (3.32%), Cl (16.67%), N (13.17%), O (7.52%) |
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])C2=C(N=C([H])N=C2N([H])C2=C([H])C(Cl)=C([H])C([H])=C2[H])C([H])=C1[H] |
InChI | 1S/C21H14Cl2N4O2/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)9-1
9(16)28/h1-11,28H,(H,27,29)(H,24,25,26) |
InChIKey | NSKGOVBNNGJFFE-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0005065.png) | Structure Backbone | ![](./frame/f_EGIN0005065.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 | 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 | 29398608 |
ChEMBL Link | CHEMBL2316142 |