COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL442605
Chemical Name: 2,2'-ethane-1,2-diylbis{3-[(1,3-benzodioxol-5-ylmethyl)amino]-2,3-dihydro-1H-isoindol-1-one}
Smiles: O=C1c2ccccc2C(N1CCN1C(NCc2ccc3c(c2)OCO3)c2c(C1=O)cccc2)NCc1ccc2c(c1)OCO2

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Molecular Weight: 590.64
Empirical Formula: C34H30N4O6

Physical State: Dry powder
Available Amount: 360 mg

Lipinsky:
logP: 3.126
Rotatable bonds: 9
H-donors: 2
H-acceptors: 6
PSA: 101
Number of rings: 8

     

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