COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL018729
Chemical Name: 3-(benzylamino)-1-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-1-one
Smiles: CC(CC(=O)C1C(C)C=CCC1(C)C)NCc1ccccc1

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Saltdata: (COOH)2
Molecular Weight: 299.46
Empirical Formula: C20H29NO

Physical State: Dry powder
Available Amount: 2176 mg

Lipinsky:
logP: 5.179
Rotatable bonds: 5
H-donors: 1
H-acceptors: 1
PSA: 29
Number of rings: 2

     

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