COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526625
Chemical Name: (3Z)-4-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)pent-3-en-2-one
Smiles: COc1c2c(CCN(C2C/C(=C/C(=O)C)/O)C)cc2c1OCO2

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Molecular Weight: 319.36
Empirical Formula: C17H21NO5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.214
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 68
Number of rings: 3

     

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