COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK958007
Chemical Name: 4-[(4E)-4-(3-chloro-4,5-dimethoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoicacid
Smiles: COc1c(Cl)cc(cc1OC)/C=C/1\C(=NN(C1=O)c1ccc(cc1)C(=O)O)C

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Molecular Weight: 400.82
Empirical Formula: C20H17ClN2O5

Physical State: Dry powder
Available Amount: 26 mg

Lipinsky:
logP: 3.604
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 88
Number of rings: 3

     

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