COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK823092
Chemical Name: methyl4-(5-{(1E)-2-cyano-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-oxoprop-1-en-1-yl}furan-2-yl)benzoate
Smiles: N#C/C(=C\c1ccc(o1)c1ccc(cc1)C(=O)OC)/C(=O)NC1CCS(=O)(=O)C1

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Molecular Weight: 414.44
Empirical Formula: C20H18N2O6S

Physical State: Dry powder
Available Amount: 91 mg

Lipinsky:
logP: 1.266
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 134
Number of rings: 3

     

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