COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK100348
Chemical Name: 4-{[(2E)-2-cyano-3-(3-methoxy-4-{[(4-methoxyphenyl)sulfonyl]oxy}phenyl)prop-2-enoyl]amino}benzoicacid
Smiles: COc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1OC)/C=C(/C(=O)Nc1ccc(cc1)C(=O)O)\C#N

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Molecular Weight: 508.51
Empirical Formula: C25H20N2O8S

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 4.478
Rotatable bonds: 6
H-donors: 2
H-acceptors: 8
PSA: 160
Number of rings: 3

     

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