COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK833517
Chemical Name: 5-[2-(ethylsulfanyl)propyl]-2-{1-[(2-hydroxyphenyl)amino]butylidene}cyclohexane-1,3-dione
Smiles: CCC/C(=C/1\C(=O)CC(CC1=O)CC(SCC)C)/Nc1ccccc1O

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Molecular Weight: 375.53
Empirical Formula: C21H29NO3S

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 3.626
Rotatable bonds: 7
H-donors: 2
H-acceptors: 3
PSA: 91
Number of rings: 2

     

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