COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045419
Chemical Name: 4-({[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-2-ium-3-yl]sulfanyl}acetyl)-2-hydroxyphenolate
Smiles: Brc1ccc(cc1)n1c(SCC(=O)c2ccc(c(c2)O)[O-])[nH+]nc1c1cccnc1

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Molecular Weight: 483.35
Empirical Formula: C21H15BrN4O3S

Physical State: Dry powder
Available Amount: 172 mg

Lipinsky:
logP: 5.848
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 130
Number of rings: 4

     

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