COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL512294
Chemical Name: (2E)-1-{1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one
Smiles: CCN(c1ccc(cc1)C1N(CCC2(C1CCCC2)O)C(=O)/C=C/c1ccc(cc1)C(C)C)CC

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Molecular Weight: 474.69
Empirical Formula: C31H42N2O2

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 7.023
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 43
Number of rings: 4

     

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