COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK311882
Chemical Name: 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-1-{4-[(1,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl}propan-1-one
Smiles: O=C(N1CCN(CC1)S(=O)(=O)c1cnn(c1C)C)CCn1cc(c(n1)[N+](=O)[O-])Cl

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Molecular Weight: 445.89
Empirical Formula: C15H20ClN7O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0.611
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 147
Number of rings: 3

     

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