COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041281
Chemical Name: (2E)-3-{4-[(2-cyanobenzyl)oxy]phenyl}-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: N#Cc1ccccc1COc1ccc(cc1)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C

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Molecular Weight: 392.44
Empirical Formula: C20H16N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.066
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 141
Number of rings: 3

     

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