COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL334959
Chemical Name: ethyl4-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanoyl]amino}benzoate
Smiles: CSCCC(N1C(=O)c2c(C1=O)cccc2)C(=O)Nc1ccc(cc1)C(=O)OCC

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Molecular Weight: 426.49
Empirical Formula: C22H22N2O5S

Physical State: Dry powder
Available Amount: 173 mg

Lipinsky:
logP: 5.199
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 118
Number of rings: 3

     

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