COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK682315
Chemical Name: 2-{2-(3,4-diethoxyphenyl)-1-[(2-hydroxyethyl)amino]ethylidene}-5,5-dimethylcyclohexane-1,3-dione
Smiles: OCCNC(=C1C(=O)CC(CC1=O)(C)C)Cc1ccc(c(c1)OCC)OCC

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Molecular Weight: 389.49
Empirical Formula: C22H31NO5

Physical State: Dry powder
Available Amount: 66 mg

Lipinsky:
logP: 3.199
Rotatable bonds: 9
H-donors: 2
H-acceptors: 5
PSA: 84
Number of rings: 2

     

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