COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL231849
Chemical Name: (2E)-1-[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one
Smiles: Fc1ccc(cc1)C1N(CCC2(C1CCCC2)O)C(=O)/C=C/c1ccc(cc1)C(C)C

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Molecular Weight: 421.56
Empirical Formula: C27H32FNO2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.903
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 40
Number of rings: 4

     

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