COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054362
Chemical Name: methyl4-[(E)-{[3-(5-methyl-1H-pyrazol-3-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/n1c(S)nnc1c1n[nH]c(c1)C

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Molecular Weight: 342.38
Empirical Formula: C15H14N6O2S

Physical State: Dry powder
Available Amount: 226 mg

Lipinsky:
logP: 3.598
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 136
Number of rings: 3

     

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