COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL537912
Chemical Name: [4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl](3,4,5-triethoxyphenyl)methanone
Smiles: CCOc1cc(cc(c1OCC)OCC)C(=O)N1CCC2(C(C1c1ccccc1OC)CCCC2)O

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Molecular Weight: 497.63
Empirical Formula: C29H39NO6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.069
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 77
Number of rings: 4

     

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