COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK228676
Chemical Name: 2-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dimethyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Smiles: COc1cc(CCN2C(=O)C3C(C2=O)CC(=C(C3)C)C)ccc1OC

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Molecular Weight: 343.42
Empirical Formula: C20H25NO4

Physical State: Dry powder
Available Amount: 196 mg

Lipinsky:
logP: 3.567
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 55
Number of rings: 3

     

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