COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047032
Chemical Name: 2-{(E)-[(3,5-dimethyl-4H-1,2,4-triazol-1-ium-4-yl)imino]methyl}-6-(prop-2-en-1-yl)phenolate
Smiles: C=CCc1cccc(c1[O-])/C=N/n1c(C)n[nH+]c1C

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Molecular Weight: 256.31
Empirical Formula: C14H16N4O

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 2.719
Rotatable bonds: 4
H-donors: 1
H-acceptors: 1
PSA: 67
Number of rings: 2

     

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