COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL372980
Chemical Name: N-(3,4-dimethoxybenzyl)-beta-alanine
Smiles: COc1cc(CNCCC(=O)O)ccc1OC

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Saltdata: HCl
Molecular Weight: 239.27
Empirical Formula: C12H17NO4

Physical State: Dry powder
Available Amount: 1000 mg

Lipinsky:
logP: 1.062
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 67
Number of rings: 1

     

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