COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK532632
Chemical Name: 2-(1-aminobutylidene)-5-[2-(ethylsulfanyl)propyl]cyclohexane-1,3-dione
Smiles: CCSC(CC1CC(=O)/C(=C(\CCC)/N)/C(=O)C1)C

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Molecular Weight: 283.44
Empirical Formula: C15H25NO2S

Physical State: Dry powder
Available Amount: 228 mg

Lipinsky:
logP: 2.219
Rotatable bonds: 6
H-donors: 2
H-acceptors: 2
PSA: 85
Number of rings: 1

     

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