COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL513641
Chemical Name: (2E)-3-(2,5-dimethoxyphenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)prop-2-en-1-one
Smiles: COc1ccc(c(c1)/C=C/C(=O)c1c2CCN(Cc2c(c2c1OCO2)OC)C)OC

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Molecular Weight: 411.45
Empirical Formula: C23H25NO6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.99
Rotatable bonds: 6
H-donors: 0
H-acceptors: 6
PSA: 66
Number of rings: 4

     

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