COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL195340
Chemical Name: 3-[(furan-2-ylmethyl)amino]-1-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-1-one
Smiles: CC(CC(=O)C1C(C)C=CCC1(C)C)NCc1ccco1

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Saltdata: (COOH)2
Molecular Weight: 289.42
Empirical Formula: C18H27NO2

Physical State: Dry powder
Available Amount: 1787 mg

Lipinsky:
logP: 4.34
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 42
Number of rings: 2

     

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