COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK534031
Chemical Name: 1-({5-[(E)-2-carboxyethenyl]-2,3-dimethoxyphenyl}sulfonyl)piperidine-4-carboxylicacid
Smiles: COc1cc(/C=C/C(=O)O)cc(c1OC)S(=O)(=O)N1CCC(CC1)C(=O)O

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Molecular Weight: 399.42
Empirical Formula: C17H21NO8S

Physical State: Dry powder
Available Amount: 229 mg

Lipinsky:
logP: 1.962
Rotatable bonds: 8
H-donors: 2
H-acceptors: 8
PSA: 138
Number of rings: 2

     

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