COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK576625
Chemical Name: 4-(methylsulfanyl)-2-[3-(quinolin-2-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]butanoicacid
Smiles: CSCCC(n1c(=S)[nH]nc1c1ccc2c(n1)cccc2)C(=O)O

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Molecular Weight: 360.46
Empirical Formula: C16H16N4O2S2

Physical State: Dry powder
Available Amount: 228 mg

Lipinsky:
logP: 1.478
Rotatable bonds: 7
H-donors: 2
H-acceptors: 2
PSA: 135
Number of rings: 3

     

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