COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK681203
Chemical Name: 2-(1-{[2-(3,4-diethoxyphenyl)ethyl]amino}butylidene)-5-phenylcyclohexane-1,3-dione
Smiles: CCC/C(=C\1/C(=O)CC(CC1=O)c1ccccc1)/NCCc1ccc(c(c1)OCC)OCC

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Molecular Weight: 449.59
Empirical Formula: C28H35NO4

Physical State: Dry powder
Available Amount: 64 mg

Lipinsky:
logP: 5.601
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 64
Number of rings: 3

     

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