COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL512282
Chemical Name: (2E)-1-[1-(2,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
Smiles: COc1ccc(cc1)/C=C/C(=O)N1CCC2(C(C1c1ccc(cc1OC)OC)CCCC2)O

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Molecular Weight: 451.56
Empirical Formula: C27H33NO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.169
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 68
Number of rings: 4

     

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