COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL419319
Chemical Name: ethyl2-{(4E)-4-[3-chloro-4-(prop-2-yn-1-yloxy)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Smiles: CCOC(=O)c1sc(nc1C)N1N=C(/C(=C\c2ccc(c(c2)Cl)OCC#C)/C1=O)C

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Molecular Weight: 443.91
Empirical Formula: C21H18ClN3O4S

Physical State: Dry powder
Available Amount: 203 mg

Lipinsky:
logP: 3.989
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 109
Number of rings: 3

     

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