COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK010104
Chemical Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxy-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one
Smiles: COc1cc(CCN2C(O)C3=C(C2=O)CCCC3)ccc1OC

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Molecular Weight: 317.38
Empirical Formula: C18H23NO4

Physical State: Dry powder
Available Amount: 4018 mg

Lipinsky:
logP: 1.5
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 59
Number of rings: 3

     

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