COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL026554
Chemical Name: 2-butanoyl-5-[2-(ethylsulfanyl)propyl]-3-(piperidin-1-yl)cyclohex-2-en-1-one
Smiles: CCSC(CC1CC(=O)C(=C(C1)N1CCCCC1)C(=O)CCC)C

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Molecular Weight: 351.55
Empirical Formula: C20H33NO2S

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 3.993
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 62
Number of rings: 2

     

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