COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545963
Chemical Name: (2E)-1-[(1R,4aS,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Smiles: COc1ccc(cc1OC)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)/C=C/c1cc(OC)c(c(c1)OC)OC

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Molecular Weight: 511.62
Empirical Formula: C29H37NO7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.838
Rotatable bonds: 5
H-donors: 1
H-acceptors: 7
PSA: 86
Number of rings: 4

     

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