COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK313857
Chemical Name: 4-{(E)-[(3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-yl)imino]methyl}-2,6-dimethoxyphenol
Smiles: COc1cc(/C=N/n2c(nnc2C)SCn2nc(c(c2C)[N+](=O)[O-])C)cc(c1O)OC

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Molecular Weight: 447.47
Empirical Formula: C18H21N7O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.433
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 170
Number of rings: 3

     

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