COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK034213
Chemical Name: N-[(E)-1,3-benzodioxol-5-ylmethylidene]-2-(3,4-dimethoxyphenyl)ethanamine
Smiles: COc1cc(CC/N=C/c2ccc3c(c2)OCO3)ccc1OC

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Molecular Weight: 313.35
Empirical Formula: C18H19NO4

Physical State: Dry powder
Available Amount: 170 mg

Lipinsky:
logP: 2.979
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 49
Number of rings: 3

     

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