COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK171967
Chemical Name: N-{4-[(4-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl}piperazin-1-yl)sulfonyl]phenyl}acetamide
Smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)Sc1nncn1C)[N+](=O)[O-]

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Molecular Weight: 517.59
Empirical Formula: C21H23N7O5S2

Physical State: Dry powder
Available Amount: 262 mg

Lipinsky:
logP: 2.888
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 179
Number of rings: 4

     

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