COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL532363
Chemical Name: (2E)-1-[(1R,4aS,8aS)-1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Smiles: COc1cc(/C=C/C(=O)N2CC[C@@]3([C@H]([C@@H]2c2ccc4c(c2)OCO4)CCCC3)O)cc(c1OC)OC

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Molecular Weight: 495.57
Empirical Formula: C28H33NO7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.963
Rotatable bonds: 3
H-donors: 1
H-acceptors: 7
PSA: 86
Number of rings: 5

     

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