COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK310503
Chemical Name: {4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}[4-(thiophen-2-ylsulfonyl)piperazin-1-yl]methanone
Smiles: O=C(c1ccc(cc1)Cn1nc(c(c1C)[N+](=O)[O-])C)N1CCN(CC1)S(=O)(=O)c1cccs1

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Molecular Weight: 489.58
Empirical Formula: C21H23N5O5S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.966
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 157
Number of rings: 4

     

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