General Property |
Molceule ID (DB) | EGIN0002021 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 23 compound |
IUPAC Name | (2S)-1-(morpholin-4-yl)-2-[(4-{[1-(1,3-thiazol-2-ylmethyl)-1H-indazol-5-yl]amino}quinazolin-5-yl)oxy]propan-1-one |
Formula | C26H25N7O3S |
Mass | 515.587 |
Exact Mass | 515.1739584 |
Composition | C (60.57%), H (4.89%), N (19.02%), O (9.31%), S (6.22%) |
Atom Count | 62 |
PI | 9.64 |
Smiles | c12c(cccc1ncnc2Nc1cc2c(cc1)n(nc2)Cc1sccn1)O[C@H](C(=O)N1CCOCC1)C |
InChI | InChI=1S/C26H25N7O3S/c1-17(26(34)32-8-10-35-11-9-32)36-22-4-2-3-20-24(22)25(29-16-28-20)31-19-5-6-21
-18(13-19)14-30-33(21)15-23-27-7-12-37-23/h2-7,12-14,16-17H,8-11,15H2,1H3,(H,28,29,31)/t17-/m0/s1 |
InChIKey | InChIKey=RZPOCZHUFDCVQZ-KRWDZBQOSA-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 | 18313293 |
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 |
16118312
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Drug Bank Link | - |
ChemSpider Link | 17275518 |
ChEMBL Link | - |