COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK362084
Chemical Name: 5-[(1E)-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-cyano-3-oxoprop-1-en-1-yl]-2-methoxyphenylbenzenesulfonate
Smiles: N#C/C(=C\c1ccc(c(c1)OS(=O)(=O)c1ccccc1)OC)/C(=O)Nc1cc(ccc1Cl)C(F)(F)F

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Molecular Weight: 536.92
Empirical Formula: C24H16ClF3N2O5S

Physical State: Dry powder
Available Amount: 82 mg

Lipinsky:
logP: 5.753
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 113
Number of rings: 3

     

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