COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK054876
Chemical Name: 3-[(2-methoxyphenyl)amino]-1-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-1-one
Smiles: COc1ccccc1NC(CC(=O)C1C(C)C=CCC1(C)C)C

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Molecular Weight: 315.46
Empirical Formula: C20H29NO2

Physical State: Dry powder
Available Amount: 170 mg

Lipinsky:
logP: 5.066
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 38
Number of rings: 2

     

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