COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL042706
Chemical Name: methyl4-[(E)-{[3-sulfanyl-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-yl]imino}methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)/C=N/n1c(S)nnc1c1[nH]nc2c1CCC2

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Molecular Weight: 368.42
Empirical Formula: C17H16N6O2S

Physical State: Dry powder
Available Amount: 224 mg

Lipinsky:
logP: 4.259
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 136
Number of rings: 4

     

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