COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK054651
Chemical Name: 5-(3,4-dimethoxyphenyl)-2-{[(2-hydroxyethyl)amino]methylidene}cyclohexane-1,3-dione
Smiles: OCCN/C=C/1\C(=O)CC(CC1=O)c1ccc(c(c1)OC)OC

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Molecular Weight: 319.36
Empirical Formula: C17H21NO5

Physical State: Dry powder
Available Amount: 356 mg

Lipinsky:
logP: 0.457
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 84
Number of rings: 2

     

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