COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL505139
Chemical Name: (2Z)-3-{4-[(4-chlorobenzyl)oxy]phenyl}-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoicacid
Smiles: Clc1ccc(cc1)COc1ccc(cc1)/C=C(/C(=O)O)\Sc1nnc([nH]1)C

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Molecular Weight: 401.87
Empirical Formula: C19H16ClN3O3S

Physical State: Dry powder
Available Amount: 163 mg

Lipinsky:
logP: 5.224
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 113
Number of rings: 3

     

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