COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL532875
Chemical Name: (2E)-1-[(1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
Smiles: COc1ccc(cc1)/C=C/C(=O)N1CC[C@@]2([C@H]([C@@H]1c1cc(OC)ccc1OC)CCCC2)O

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Molecular Weight: 451.56
Empirical Formula: C27H33NO5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.338
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 68
Number of rings: 4

     

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