COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK035548
Chemical Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-[(4-chlorobenzyl)sulfanyl]-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one
Smiles: Clc1ccc(cc1)CSC1N(Cc2ccc3c(c2)OCO3)C(=O)C2=C1CCCC2

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Molecular Weight: 427.95
Empirical Formula: C23H22ClNO3S

Physical State: Liquid
Available Amount: 300 mg

Lipinsky:
logP: 5.146
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 64
Number of rings: 5

     

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