COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052632
Chemical Name: (2Z)-3-{3-[(4-chlorobenzyl)oxy]phenyl}-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Smiles: Clc1ccc(cc1)COc1cccc(c1)/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C

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Molecular Weight: 401.87
Empirical Formula: C19H16ClN3O3S

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 5.254
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 117
Number of rings: 3

     

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