COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK004465
Chemical Name: 3-[(4-chlorobenzyl)sulfanyl]-2-(2-methoxyethyl)-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one
Smiles: COCCN1C(SCc2ccc(cc2)Cl)C2=C(C1=O)CCCC2

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Molecular Weight: 351.9
Empirical Formula: C18H22ClNO2S

Physical State: Liquid
Available Amount: 26 mg

Lipinsky:
logP: 3.599
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 54
Number of rings: 3

     

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