COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054009
Chemical Name: (2Z)-3-(4-methoxy-2-methylphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: COc1ccc(c(c1)C)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

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Molecular Weight: 305.36
Empirical Formula: C14H15N3O3S

Physical State: Dry powder
Available Amount: 141 mg

Lipinsky:
logP: 3.434
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 117
Number of rings: 2

     

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