COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK633981
Chemical Name: 3-{[5-thioxo-3-(3,4,5-trimethoxyphenyl)-1,5-dihydro-4H-1,2,4-triazol-4-yl]methyl}benzoicacid
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1Cc1cccc(c1)C(=O)O

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Molecular Weight: 401.44
Empirical Formula: C19H19N3O5S

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 1.468
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 124
Number of rings: 3

     

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