COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052059
Chemical Name: {[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetate
Smiles: COc1ccc(cc1)n1c(SCC(=O)[O-])[nH+]nc1c1ccc(cc1)Cl

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Molecular Weight: 375.84
Empirical Formula: C17H14ClN3O3S

Physical State: Dry powder
Available Amount: 215 mg

Lipinsky:
logP: 5.371
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 106
Number of rings: 3

     

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