COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK105846
Chemical Name: 4-[(E)-{[3-(4-tert-butylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]benzoicacid
Smiles: OC(=O)c1ccc(cc1)/C=N/n1c(S)nnc1c1ccc(cc1)C(C)(C)C

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Molecular Weight: 380.47
Empirical Formula: C20H20N4O2S

Physical State: Dry powder
Available Amount: 70 mg

Lipinsky:
logP: 6.626
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 119
Number of rings: 3

     

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