COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK719190
Chemical Name: methyl4-chloro-2-({(E)-[1-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
Smiles: COC(=O)c1ccc(cc1N/C=C/1\C(=NN(C1=O)C1CCS(=O)(=O)C1)C)Cl

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Molecular Weight: 411.87
Empirical Formula: C17H18ClN3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.446
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 113
Number of rings: 3

     

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