COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK620133
Chemical Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-(quinolin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: S=c1[nH]nc(n1Cc1ccc2c(c1)OCO2)c1ccc2c(n1)cccc2

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Molecular Weight: 362.41
Empirical Formula: C19H14N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.08
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 91
Number of rings: 5

     

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