COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK307430
Chemical Name: 5-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol
Smiles: [O-][N+](=O)c1c(C)nn(c1C)Cc1ccc(cc1)c1nnc(n1CCc1ccccc1)S

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Molecular Weight: 434.52
Empirical Formula: C22H22N6O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.689
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 133
Number of rings: 4

     

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