COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK675445
Chemical Name: 2-chloro-5-{(4Z)-4-[3,5-dibromo-2-(prop-2-en-1-yloxy)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoicacid
Smiles: C=CCOc1c(cc(cc1Br)Br)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C

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Molecular Weight: 554.62
Empirical Formula: C21H15Br2ClN2O4

Physical State: Dry powder
Available Amount: 701 mg

Lipinsky:
logP: 5.623
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 79
Number of rings: 3

     

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