COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK367567
Chemical Name: ethyl(2E)-2-[(diethoxyphosphorothioyl)sulfanyl]-3-[(4-nitrophenyl)amino]but-2-enoate
Smiles: CCOC(=O)/C(=C(\Nc1ccc(cc1)[N+](=O)[O-])/C)/SP(=S)(OCC)OCC

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Molecular Weight: 434.47
Empirical Formula: C16H23N2O6PS2

Physical State: Dry powder
Available Amount: 13 mg

Lipinsky:
logP: 4.521
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 169
Number of rings: 1

     

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