COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK039870
Chemical Name: 4-(4-butylphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Smiles: CCCCc1ccc(cc1)n1c(S)nnc1c1cc(OC)c(c(c1)OC)OC

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Molecular Weight: 399.51
Empirical Formula: C21H25N3O3S

Physical State: Dry powder
Available Amount: 199 mg

Lipinsky:
logP: 7.175
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 97
Number of rings: 3

     

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