COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL295300
Chemical Name: 4-({(E)-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzenesulfonamide
Smiles: OCC(NS(=O)(=O)c1ccc(cc1)N/C=C/1\C(=NN(C1=O)c1ccc(cc1)Cl)C)(CO)CO

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Molecular Weight: 494.96
Empirical Formula: C21H23ClN4O6S

Physical State: Dry powder
Available Amount: 72 mg

Lipinsky:
logP: 1.603
Rotatable bonds: 6
H-donors: 5
H-acceptors: 6
PSA: 159
Number of rings: 3

     

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