COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL324363
Chemical Name: ethyl5-cyano-6-[(cyanomethyl)sulfanyl]-4-(3,4-dichlorophenyl)-2-propyl-4H-pyran-3-carboxylate
Smiles: CCCC1=C(C(=O)OCC)C(C(=C(O1)SCC#N)C#N)c1ccc(c(c1)Cl)Cl

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Molecular Weight: 437.35
Empirical Formula: C20H18Cl2N2O3S

Physical State: Dry powder
Available Amount: 93 mg

Lipinsky:
logP: 5.37
Rotatable bonds: 8
H-donors: 0
H-acceptors: 3
PSA: 108
Number of rings: 2

     

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