COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL050265
Chemical Name: (2Z)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: CCOc1cc(/C=C(/C(=O)[O-])\Sc2[nH]nc([nH+]2)C)cc(c1OC)Cl

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Molecular Weight: 369.83
Empirical Formula: C15H16ClN3O4S

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 4.174
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 126
Number of rings: 2

     

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