COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL512278
Chemical Name: 1-[1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-phenylpropan-1-one
Smiles: COc1cc(OC)ccc1C1N(CCC2(C1CCCC2)O)C(=O)CCc1ccccc1

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Molecular Weight: 423.55
Empirical Formula: C26H33NO4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.364
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 59
Number of rings: 4

     

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