COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK312076
Chemical Name: 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-1-{4-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl}propan-1-one
Smiles: CCn1nc(c(c1)S(=O)(=O)N1CCN(CC1)C(=O)CCn1cc(c(n1)[N+](=O)[O-])Cl)C

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Molecular Weight: 459.91
Empirical Formula: C16H22ClN7O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.142
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 147
Number of rings: 3

     

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