COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL102004
Chemical Name: (2E)-N-{2-[(2,4-dichlorobenzyl)sulfanyl]ethyl}-3-(3-nitrophenyl)prop-2-enamide
Smiles: O=C(/C=C/c1cccc(c1)[N+](=O)[O-])NCCSCc1ccc(cc1Cl)Cl

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Molecular Weight: 411.31
Empirical Formula: C18H16Cl2N2O3S

Physical State: Dry powder
Available Amount: 86 mg

Lipinsky:
logP: 5.186
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 100
Number of rings: 2

     

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