COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL512287
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-1-{1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}prop-2-en-1-one
Smiles: CCN(c1ccc(cc1)C1N(CCC2(C1CCCC2)O)C(=O)/C=C/c1ccc2c(c1)OCO2)CC

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Molecular Weight: 476.62
Empirical Formula: C29H36N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.806
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 62
Number of rings: 5

     

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