COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL396743
Chemical Name: {4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}{4-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl}methanone
Smiles: Cn1ncc(c1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccc(cc1)Cn1nc(c(c1C)[N+](=O)[O-])C

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Molecular Weight: 487.54
Empirical Formula: C21H25N7O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 0.717
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 147
Number of rings: 4

     

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