COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK186516
Chemical Name: 4-({4-[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]-2-ethoxyphenoxy}methyl)benzoicacid
Smiles: CCOc1cc(ccc1OCc1ccc(cc1)C(=O)O)/C=C(\C(=O)NCc1ccccc1)/C#N

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Molecular Weight: 456.5
Empirical Formula: C27H24N2O5

Physical State: Dry powder
Available Amount: 142 mg

Lipinsky:
logP: 4.788
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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