COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL326789
Chemical Name: 2-butanoyl-3-[(2-hydroxyethyl)amino]-5,5-dimethylcyclohex-2-en-1-one
Smiles: CCCC(=O)C1=C(NCCO)CC(CC1=O)(C)C

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Molecular Weight: 253.34
Empirical Formula: C14H23NO3

Physical State: Dry powder
Available Amount: 66 mg

Lipinsky:
logP: 1.566
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 66
Number of rings: 1

     

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