COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL547876
Chemical Name: (2E)-3-(3,4-dimethoxyphenyl)-1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)prop-2-en-1-one
Smiles: COc1cc(/C=C/C(=O)N2CCC3(C(C2)CCCC3)O)ccc1OC

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Molecular Weight: 345.44
Empirical Formula: C20H27NO4

Physical State: Dry powder
Available Amount: 59 mg

Lipinsky:
logP: 2.652
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 59
Number of rings: 3

     

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