General Property |
Molceule ID (DB) | EGIN0001524 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 5h compound |
IUPAC Name | (2R)-4-{4-[(3-chloro-4-fluorophenyl)amino]quinazolin-6-yl}but-3-yn-2-ol |
Formula | C18H13ClFN3O |
Mass | 341.767 |
Exact Mass | 341.073118 |
Composition | C (63.26%), H (3.83%), Cl (10.37%), F (5.56%), N (12.29%), O (4.68%) |
Atom Count | 37 |
PI | 8.96 |
Smiles | c12c(ccc(c1)C#C[C@H](O)C)ncnc2Nc1ccc(c(c1)Cl)F |
InChI | 1S/C18H13ClFN3O/c1-11(24)2-3-12-4-7-17-14(8-12)18(22-10-21-17)23-13-5-6-16(20)15(19)9-13/h4-11,24H,1
H3,(H,21,22,23)/t11-/m1/s1 |
InChIKey | HGYWASHVHJLXJJ-LLVKDONJSA-N |
2D Structure | ![](./image/EGIN0001524.png) | Structure Backbone | ![](./frame/f_EGIN0001524.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 | 17889528 |
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 | 23306723 |
ChEMBL Link | CHEMBL399928 |