COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK226455
Chemical Name: 1-{5-[(4-methylphenyl)sulfanyl]-3-nitro-1H-1,2,4-triazol-1-yl}propan-2-one
Smiles: CC(=O)Cn1nc(nc1Sc1ccc(cc1)C)[N+](=O)[O-]

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Molecular Weight: 292.32
Empirical Formula: C12H12N4O3S

Physical State: Dry powder
Available Amount: 325 mg

Lipinsky:
logP: 2.82
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 118
Number of rings: 2

     

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