COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL178869
Chemical Name: 1-(4-hydroxy-3-methoxyphenyl)-2-[(2E)-3-phenylprop-2-en-1-yl]octahydroisoquinolin-4a(2H)-ol
Smiles: COc1cc(ccc1O)C1N(C/C=C/c2ccccc2)CCC2(C1CCCC2)O

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Molecular Weight: 393.53
Empirical Formula: C25H31NO3

Physical State: Dry powder
Available Amount: 338 mg

Lipinsky:
logP: 3.723
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 52
Number of rings: 4

     

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