COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL424086
Chemical Name: 3-[(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)carbonyl]-4,6-dimethyl-1-(tetrahydrofuran-2-ylmethyl)pyridin-2(1H)-one
Smiles: Cc1cc(C)n(c(=O)c1C(=O)N1CCC2(C(C1)CCCC2)O)CC1CCCO1

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Molecular Weight: 388.51
Empirical Formula: C22H32N2O4

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 1.149
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 70
Number of rings: 4

     

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