COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL340786
Chemical Name: 2-[(1E)-N-ethoxybutanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-(hexylamino)cyclohex-2-en-1-one
Smiles: CCCCCCNC1=C(C(=O)CC(C1)CC(SCC)C)/C(=N/OCC)/CCC

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Molecular Weight: 410.66
Empirical Formula: C23H42N2O2S

Available Amount: 0 mg

Lipinsky:
logP: 6.728
Rotatable bonds: 14
H-donors: 1
H-acceptors: 2
PSA: 75
Number of rings: 1

     

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