COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL523375
Chemical Name: (2E)-3-(3,4-dimethoxyphenyl)-N-[(4-hydroxy-6-methyl-5-oxo-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methyl]prop-2-enamide
Smiles: COc1cc(/C=C/C(=O)NCc2c3OCOc3c(c3c2CCN(C3=O)C)O)ccc1OC

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Molecular Weight: 440.45
Empirical Formula: C23H24N2O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.296
Rotatable bonds: 7
H-donors: 2
H-acceptors: 7
PSA: 106
Number of rings: 4

     

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