COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL303236
Chemical Name: (2E)-3-(4-fluorophenyl)-1-[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one
Smiles: Fc1ccc(cc1)/C=C/C(=O)N1CC[C@@]2([C@H](C1)CCCC2)O

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Molecular Weight: 303.38
Empirical Formula: C18H22FNO2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.834
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 40
Number of rings: 3

     

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