COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL512280
Chemical Name: (2E)-3-(3,4-dimethoxyphenyl)-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/c1ccc(c(c1)OC)OC

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Molecular Weight: 481.59
Empirical Formula: C28H35NO6

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 4.05
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 77
Number of rings: 4

     

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