COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK825709
Chemical Name: ethyl2-{(4E)-4-[(6-bromo-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\c2cc3OCOc3cc2Br)/C1=O)C

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Molecular Weight: 478.32
Empirical Formula: C19H16BrN3O5S

Physical State: Dry powder
Available Amount: 678 mg

Lipinsky:
logP: 4.477
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 118
Number of rings: 4

     

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