COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563452
Chemical Name: 4-({(E)-[4-(pentyloxy)phenyl]methylidene}amino)-5-(phenoxymethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: CCCCCOc1ccc(cc1)/C=N/n1c(COc2ccccc2)n[nH]c1=S

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Molecular Weight: 396.51
Empirical Formula: C21H24N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.78
Rotatable bonds: 7
H-donors: 1
H-acceptors: 2
PSA: 90
Number of rings: 3

     

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