COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK727947
Chemical Name: (2Z)-3-{2-[(2-cyanobenzyl)oxy]phenyl}-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoicacid
Smiles: N#Cc1ccccc1COc1ccccc1/C=C(/C(=O)O)\Sc1nnc([nH]1)C

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Molecular Weight: 392.44
Empirical Formula: C20H16N4O3S

Physical State: Dry powder
Available Amount: 316 mg

Lipinsky:
logP: 4.126
Rotatable bonds: 8
H-donors: 2
H-acceptors: 3
PSA: 137
Number of rings: 3

     

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