COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK019406
Chemical Name: ethyl2-{(4E)-4-[4-(2-methoxy-2-oxoethoxy)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(cc2)OCC(=O)OC)/C1=O)C

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Molecular Weight: 443.48
Empirical Formula: C21H21N3O6S

Physical State: Dry powder
Available Amount: 324 mg

Lipinsky:
logP: 2.672
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 135
Number of rings: 3

     

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