General Property |
Molceule ID (DB) | EGIN0004397 |
Inhibitor Class | Pyrazolyl-thiazolinone |
Molecule Name in Refrence Article | E24 |
IUPAC Name | 2-[(5S)-3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-4-one |
Formula | C19H16BrN3O2S |
Mass | 430.318 |
Exact Mass | 429.0146601 |
Composition | C (53.03%), H (3.75%), Br (18.57%), N (9.76%), O (7.44%), S (7.45%) |
Atom Count | 42 |
PI | 7.5 |
Smiles | c1c(ccc(c1)C1=NN([C@@H](C1)c1ccc(cc1)OC)C1=NC(=O)CS1)Br |
InChI | 1S/C19H16BrN3O2S/c1-25-15-8-4-13(5-9-15)17-10-16(12-2-6-14(20)7-3-12)22-23(17)19-21-18(24)11-26-19/h
2-9,17H,10-11H2,1H3/t17-/m0/s1 |
InChIKey | BZFPYVHUYNZICS-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 | 22361272 |
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 | 28493908 |
ChEMBL Link | - |