COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL123600
Chemical Name: (2E)-N-{2-[(4-chlorobenzyl)sulfanyl]ethyl}-3-(4-nitrophenyl)prop-2-enamide
Smiles: O=C(/C=C/c1ccc(cc1)[N+](=O)[O-])NCCSCc1ccc(cc1)Cl

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Molecular Weight: 376.86
Empirical Formula: C18H17ClN2O3S

Physical State: Dry powder
Available Amount: 45 mg

Lipinsky:
logP: 4.457
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 100
Number of rings: 2

     

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