COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK591878
Chemical Name: 4-[(E)-{[3-(2-chlorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]-2-methoxyphenylacetate
Smiles: COc1cc(ccc1OC(=O)C)/C=N/n1c(=S)[nH]nc1c1ccccc1Cl

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Molecular Weight: 402.86
Empirical Formula: C18H15ClN4O3S

Physical State: Dry powder
Available Amount: 189 mg

Lipinsky:
logP: 2.803
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 107
Number of rings: 3

     

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