COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK991709
Chemical Name: methyl2-({(E)-[1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
Smiles: COC(=O)c1ccccc1N/C=C/1\C(=NN(C1=O)C1CCS(=O)(=O)C1)C

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Molecular Weight: 377.42
Empirical Formula: C17H19N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.446
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 113
Number of rings: 3

     

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