COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL512285
Chemical Name: 1-[1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]butan-1-one
Smiles: CCCC(=O)N1CCC2(C(C1c1ccc(cc1OC)OC)CCCC2)O

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Molecular Weight: 361.48
Empirical Formula: C21H31NO4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.204
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 59
Number of rings: 3

     

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