COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK380513
Chemical Name: 2-{[(2E)-3-{3-chloro-5-ethoxy-4-[(phenylsulfonyl)oxy]phenyl}-2-cyanoprop-2-enoyl]amino}benzoicacid
Smiles: CCOc1cc(/C=C(/C(=O)Nc2ccccc2C(=O)O)\C#N)cc(c1OS(=O)(=O)c1ccccc1)Cl

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Molecular Weight: 526.95
Empirical Formula: C25H19ClN2O7S

Physical State: Dry powder
Available Amount: 90 mg

Lipinsky:
logP: 5.978
Rotatable bonds: 8
H-donors: 2
H-acceptors: 7
PSA: 151
Number of rings: 3

     

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