COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL151162
Chemical Name: 4-({[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}methyl)benzoate
Smiles: Clc1ccc(cc1)n1c(SCc2ccc(cc2)C(=O)[O-])[nH+]nc1c1ccncc1

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Molecular Weight: 422.89
Empirical Formula: C21H15ClN4O2S

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 5.841
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 110
Number of rings: 4

     

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