COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL178873
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-1-[1-(3-ethoxy-4-hydroxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one
Smiles: CCOc1cc(ccc1O)C1N(CCC2(C1CCCC2)O)C(=O)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 465.55
Empirical Formula: C27H31NO6

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.134
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 88
Number of rings: 5

     

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