COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK723983
Chemical Name: 3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-1-one
Smiles: O=C(N1CCN(CC1)S(=O)(=O)c1ccccc1)CC(n1nc(c(c1C)Cl)C)C

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Molecular Weight: 424.95
Empirical Formula: C19H25ClN4O3S

Physical State: Dry powder
Available Amount: 75 mg

Lipinsky:
logP: 3.378
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 83
Number of rings: 3

     

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