COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK823091
Chemical Name: (2E)-3-[5-(4-acetylphenyl)furan-2-yl]-2-cyano-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
Smiles: N#C/C(=C\c1ccc(o1)c1ccc(cc1)C(=O)C)/C(=O)NC1CCS(=O)(=O)C1

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Molecular Weight: 398.44
Empirical Formula: C20H18N2O5S

Physical State: Dry powder
Available Amount: 98 mg

Lipinsky:
logP: 0.934
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 125
Number of rings: 3

     

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