COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049476
Chemical Name: (2E)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
Smiles: COc1cc(/C=C(\C(=O)[O-])/Sc2[nH]nc([nH+]2)C)cc(c1OC)OC

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Molecular Weight: 351.38
Empirical Formula: C15H17N3O5S

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 2.618
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 135
Number of rings: 2

     

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