COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL549084
Chemical Name: (2E)-1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one
Smiles: COc1ccccc1[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)/C=C/c1ccccc1

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Molecular Weight: 391.51
Empirical Formula: C25H29NO3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.428
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 49
Number of rings: 4

     

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