COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK530422
Chemical Name: 2-(1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}butylidene)-5-phenylcyclohexane-1,3-dione
Smiles: CCC/C(=C\1/C(=O)CC(CC1=O)c1ccccc1)/NCCc1ccc(c(c1)OC)OC

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Molecular Weight: 421.54
Empirical Formula: C26H31NO4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.539
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 64
Number of rings: 3

     

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