COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545867
Chemical Name: 4-(2,5-dimethyl-1H-pyrrol-1-yl)-1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)butan-1-one
Smiles: O=C(N1CCC2(C(C1)CCCC2)O)CCCn1c(C)ccc1C

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Molecular Weight: 318.46
Empirical Formula: C19H30N2O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.085
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 45
Number of rings: 3

     

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