COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051378
Chemical Name: 5-(diethylammonio)-2-[(E)-{[3-(2-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]phenolate
Smiles: COc1ccccc1c1n[nH]c(=S)n1/N=C/c1ccc(cc1[O-])[NH+](CC)CC

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Molecular Weight: 397.5
Empirical Formula: C20H23N5O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.751
Rotatable bonds: 6
H-donors: 2
H-acceptors: 2
PSA: 108
Number of rings: 3

     

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