COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK367773
Chemical Name: 4-[(2-carboxyphenyl)sulfanyl]-3-[(3-{2-[(2-ethylhexyl)oxy]phenyl}-3-oxopropanoyl)amino]benzoicacid
Smiles: CCCCC(COc1ccccc1C(=O)CC(=O)Nc1cc(ccc1Sc1ccccc1C(=O)O)C(=O)O)CC

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Molecular Weight: 563.67
Empirical Formula: C31H33NO7S

Physical State: Dry powder
Available Amount: 141 mg

Lipinsky:
logP: 8.795
Rotatable bonds: 16
H-donors: 3
H-acceptors: 7
PSA: 155
Number of rings: 3

     

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