COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK585983
Chemical Name: 4-[(E)-{[5-thioxo-3-(3,4,5-trimethoxyphenyl)-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoicacid
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(=O)O

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Molecular Weight: 414.44
Empirical Formula: C19H18N4O5S

Physical State: Dry powder
Available Amount: 202 mg

Lipinsky:
logP: 2.211
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 137
Number of rings: 3

     

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