COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL543453
Chemical Name: 3-[(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)carbonyl]-1-(2-methoxyethyl)-4,6-dimethylpyridin-2(1H)-one
Smiles: COCCn1c(C)cc(c(c1=O)C(=O)N1CCC2(C(C1)CCCC2)O)C

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Molecular Weight: 362.47
Empirical Formula: C20H30N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.153
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 70
Number of rings: 3

     

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