COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK041730
Chemical Name: 2-(1,3-benzodioxol-5-ylmethyl)-3-[(1-benzylpiperidin-4-yl)oxy]-2,3-dihydro-1H-isoindol-1-one
Smiles: O=C1N(Cc2ccc3c(c2)OCO3)C(c2c1cccc2)OC1CCN(CC1)Cc1ccccc1

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Molecular Weight: 456.54
Empirical Formula: C28H28N2O4

Physical State: Dry powder
Available Amount: 4 mg

Lipinsky:
logP: 3.408
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 51
Number of rings: 6

     

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