General Property |
Molceule ID (DB) | EGIN0005064 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 22 |
IUPAC Name | Nâ€{4â€[(3â€chlorophenyl)amino]quinazolinâ€6â€yl}â€2â€hydroxybenzamide |
Formula | C21H15ClN4O2 |
Mass | 390.822 |
Exact Mass | 390.088353451 |
Composition | C (64.54%), H (3.87%), Cl (9.07%), N (14.34%), O (8.19%) |
Atom Count | 43 |
PI | 5.95 |
Smiles | [H]OC1=C(C([H])=C([H])C([H])=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/C21H15ClN4O2/c22-13-4-3-5-14(10-13)25-20-17-11-15(8-9-18(17)23-12-24-20)26-21(28)16-6-1-2-7-19(16
)27/h1-12,27H,(H,26,28)(H,23,24,25) |
InChIKey | KCHPKKLTVRJBHG-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0005064.png) | Structure Backbone | ![](./frame/f_EGIN0005064.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 | 29397759 |
ChEMBL Link | CHEMBL2316141 |