COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK054401
Chemical Name: (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one
Smiles: COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1c(OC)c1c(c2)OCO1

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Molecular Weight: 413.43
Empirical Formula: C22H23NO7

Physical State: Dry powder
Available Amount: 3969 mg

Lipinsky:
logP: 2.826
Rotatable bonds: 4
H-donors: 0
H-acceptors: 7
PSA: 75
Number of rings: 5

     

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