General Property |
Molceule ID (DB) | EGIN0001965 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 5b compound |
IUPAC Name | 1-[(2S)-2-{[(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}quinazolin-5-yl)oxy]methyl}pyrrolidin-1-yl]-2-hydroxyethan-1-one |
Formula | C27H26ClN5O4 |
Mass | 519.979 |
Exact Mass | 519.1673321 |
Composition | C (62.37%), H (5.04%), Cl (6.82%), N (13.47%), O (12.31%) |
Atom Count | 63 |
PI | 9.12 |
Smiles | c1ccc2c(c1OC[C@H]1N(CCC1)C(=O)CO)c(ncn2)Nc1cc(c(cc1)OCc1ncccc1)Cl |
InChI | 1S/C27H26ClN5O4/c28-21-13-18(9-10-23(21)36-15-19-5-1-2-11-29-19)32-27-26-22(30-17-31-27)7-3-8-24(26)
37-16-20-6-4-12-33(20)25(35)14-34/h1-3,5,7-11,13,17,20,34H,4,6,12,14-16H2,(H,30,31,32)/t20-/m0/s1 |
InChIKey | FSHWIHXFSFIOAL-FQEVSTJZSA-N |
2D Structure | | Structure Backbone | |
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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 | 17869514 |
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 |
11569903
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Drug Bank Link | - |
ChemSpider Link | 9744673 |
ChEMBL Link | CHEMBL403569 |