COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL528571
Chemical Name: 2-[(3,3-dimethyl-3,4-dihydroisoquinolinium-1-yl)amino]-3-phenylpropanoate
Smiles: [O-]C(=O)C(NC1=[NH+]C(C)(C)Cc2c1cccc2)Cc1ccccc1

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Molecular Weight: 322.41
Empirical Formula: C20H22N2O2

Physical State: Dry powder
Available Amount: 59 mg

Lipinsky:
logP: 3.941
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 66
Number of rings: 3

     

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