COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL537782
Chemical Name: (2E)-1-[1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one
Smiles: CCOc1ccccc1C1N(CCC2(C1CCCC2)O)C(=O)/C=C/c1ccccc1

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Molecular Weight: 405.54
Empirical Formula: C26H31NO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.959
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 49
Number of rings: 4

     

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