COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL505902
Chemical Name: (2E)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-phenylprop-2-enoicacid
Smiles: OC(=O)/C(=C\c1ccccc1)/Sc1nnc([nH]1)C

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Molecular Weight: 261.3
Empirical Formula: C12H11N3O2S

Physical State: Dry powder
Available Amount: 229 mg

Lipinsky:
logP: 3.029
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 104
Number of rings: 2

     

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