COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK816689
Chemical Name: (2E)-3-(4-butoxy-3-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl]prop-2-enenitrile
Smiles: CCCCOc1ccc(cc1OC)/C=C(/S(=O)(=O)c1ccc(cc1)Cl)\C#N

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Molecular Weight: 405.9
Empirical Formula: C20H20ClNO4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.263
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 84
Number of rings: 2

     

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