COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL342832
Chemical Name: N-(4-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetamide
Smiles: COc1cc(ccc1OC)C1N(CCC2(C1CCCC2)O)CC(=O)Nc1ccc(cc1)Cl

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Molecular Weight: 458.98
Empirical Formula: C25H31ClN2O4

Physical State: Dry powder
Available Amount: 213 mg

Lipinsky:
logP: 4.62
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 71
Number of rings: 4

     

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