COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL187016
Chemical Name: 2-[(3,4-dimethoxybenzyl)amino]-2-oxoethylisoquinoline-1-carboxylate
Smiles: COc1cc(CNC(=O)COC(=O)c2nccc3c2cccc3)ccc1OC

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Molecular Weight: 380.4
Empirical Formula: C21H20N2O5

Physical State: Dry powder
Available Amount: 26 mg

Lipinsky:
logP: 2.031
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 86
Number of rings: 3

     

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