COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL537438
Chemical Name: (2E)-1-[1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Smiles: CCOc1ccccc1C1N(CCC2(C1CCCC2)O)C(=O)/C=C/c1cc(OC)c(c(c1)OC)OC

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Molecular Weight: 495.62
Empirical Formula: C29H37NO6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.548
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 77
Number of rings: 4

     

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