COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL136981
Chemical Name: (2E)-N-[2-(benzylsulfanyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide
Smiles: O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])NCCSCc1ccccc1

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Molecular Weight: 342.42
Empirical Formula: C18H18N2O3S

Physical State: Dry powder
Available Amount: 67 mg

Lipinsky:
logP: 3.862
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 100
Number of rings: 2

     

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