COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL237219
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-1-[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one
Smiles: Fc1ccc(cc1)C1N(CCC2(C1CCCC2)O)C(=O)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 423.48
Empirical Formula: C25H26FNO4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.685
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 59
Number of rings: 5

     

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