COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK681249
Chemical Name: 2-(1-{[2-(3,4-diethoxyphenyl)ethyl]amino}pentylidene)-5,5-dimethylcyclohexane-1,3-dione
Smiles: CCCCC(=C1C(=O)CC(CC1=O)(C)C)NCCc1ccc(c(c1)OCC)OCC

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Molecular Weight: 415.57
Empirical Formula: C25H37NO4

Physical State: Dry powder
Available Amount: 64 mg

Lipinsky:
logP: 5.404
Rotatable bonds: 10
H-donors: 1
H-acceptors: 4
PSA: 64
Number of rings: 2

     

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