COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL187006
Chemical Name: 2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethylisoquinoline-1-carboxylate
Smiles: O=C(NCc1ccc2c(c1)OCO2)COC(=O)c1nccc2c1cccc2

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Molecular Weight: 364.36
Empirical Formula: C20H16N2O5

Physical State: Dry powder
Available Amount: 25 mg

Lipinsky:
logP: 2.156
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 86
Number of rings: 4

     

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