COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK675548
Chemical Name: 5-[(4Z)-4-benzylidene-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2-chlorobenzoicacid
Smiles: CC1=NN(C(=O)/C/1=C\c1ccccc1)c1ccc(c(c1)C(=O)O)Cl

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Molecular Weight: 340.77
Empirical Formula: C18H13ClN2O3

Physical State: Dry powder
Available Amount: 2038 mg

Lipinsky:
logP: 3.134
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 69
Number of rings: 3

     

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