COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK022138
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-N-[2-(cyclohexylsulfanyl)ethyl]prop-2-enamide
Smiles: O=C(/C=C/c1ccc2c(c1)OCO2)NCCSC1CCCCC1

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Molecular Weight: 333.45
Empirical Formula: C18H23NO3S

Physical State: Dry powder
Available Amount: 74 mg

Lipinsky:
logP: 4.494
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 72
Number of rings: 3

     

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