COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK683312
Chemical Name: 2-(1-{[2-(3,4-diethoxyphenyl)ethyl]amino}butylidene)cyclohexane-1,3-dione
Smiles: CCCC(=C1C(=O)CCCC1=O)NCCc1ccc(c(c1)OCC)OCC

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Molecular Weight: 373.49
Empirical Formula: C22H31NO4

Physical State: Dry powder
Available Amount: 64 mg

Lipinsky:
logP: 3.84
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 64
Number of rings: 2

     

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