COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL569967
Chemical Name: 4-({[4-ammonio-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Smiles: COc1cccc(c1)c1nnc(n1[NH3+])SCc1ccc(cc1)C(=O)[O-]

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Molecular Weight: 356.41
Empirical Formula: C17H16N4O3S

Available Amount: 0 mg

Lipinsky:
logP: 3.969
Rotatable bonds: 4
H-donors: 3
H-acceptors: 3
PSA: 133
Number of rings: 3

     

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