COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL396994
Chemical Name: {4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}[4-(ethylsulfonyl)piperazin-1-yl]methanone
Smiles: CCS(=O)(=O)N1CCN(CC1)C(=O)c1ccc(cc1)Cn1cc(c(n1)[N+](=O)[O-])Cl

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Molecular Weight: 441.9
Empirical Formula: C17H20ClN5O5S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 0.563
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 129
Number of rings: 3

     

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