COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK566906
Chemical Name: (2Z)-3-{4-[(2-cyanobenzyl)oxy]-3-methoxyphenyl}-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: COc1cc(ccc1OCc1ccccc1C#N)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

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Molecular Weight: 422.46
Empirical Formula: C21H18N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.948
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 150
Number of rings: 3

     

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