COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL319446
Chemical Name: ethyl4-{[3-(1,3-benzodioxol-5-yl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]carbonyl}piperazine-1-carboxylate
Smiles: CCOC(=O)N1CCN(CC1)C(=O)C1c2ccccc2C(=O)N(C1c1ccc2c(c1)OCO2)C

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Molecular Weight: 465.51
Empirical Formula: C25H27N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.516
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 88
Number of rings: 5

     

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