COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK681260
Chemical Name: 2-butanoyl-3-{[2-(3,4-diethoxyphenyl)ethyl]amino}-5,5-dimethylcyclohex-2-en-1-one
Smiles: CCCC(=O)C1=C(NCCc2ccc(c(c2)OCC)OCC)CC(CC1=O)(C)C

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Molecular Weight: 401.55
Empirical Formula: C24H35NO4

Physical State: Dry powder
Available Amount: 64 mg

Lipinsky:
logP: 4.832
Rotatable bonds: 10
H-donors: 1
H-acceptors: 4
PSA: 64
Number of rings: 2

     

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