COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL512277
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-1-[1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one
Smiles: COc1ccc(c(c1)OC)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: 303 mg

Lipinsky:
logP: 4.345
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 77
Number of rings: 5

     

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