COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK067916
Chemical Name: 4-({4-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]-2-chloro-6-ethoxyphenoxy}methyl)benzoicacid
Smiles: CCOc1cc(/C=C(/C(=O)NCc2ccccc2)\C#N)cc(c1OCc1ccc(cc1)C(=O)O)Cl

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Molecular Weight: 490.94
Empirical Formula: C27H23ClN2O5

Physical State: Dry powder
Available Amount: 135 mg

Lipinsky:
logP: 5.575
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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