COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK034149
Chemical Name: ethyl2-{(4E)-4-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-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\c2cc3OCOc3cc2OC)/C1=O)C

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Molecular Weight: 429.45
Empirical Formula: C20H19N3O6S

Physical State: Dry powder
Available Amount: 282 mg

Lipinsky:
logP: 3.577
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 127
Number of rings: 4

     

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