COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK063147
Chemical Name: (2E)-N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-3-(3-nitrophenyl)prop-2-enamide
Smiles: O=C(/C=C/c1cccc(c1)[N+](=O)[O-])NCCSCc1c(F)cccc1Cl

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Molecular Weight: 394.85
Empirical Formula: C18H16ClFN2O3S

Physical State: Dry powder
Available Amount: 387 mg

Lipinsky:
logP: 4.189
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 100
Number of rings: 2

     

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