COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL349659
Chemical Name: ethyl(2Z)-2-ethyl-3-{[2-hydroxy-2-(4-nitrophenyl)ethyl]amino}but-2-enoate
Smiles: CC/C(=C(/NCC(c1ccc(cc1)[N+](=O)[O-])O)\C)/C(=O)OCC

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Molecular Weight: 322.36
Empirical Formula: C16H22N2O5

Physical State: Dry powder
Available Amount: 89 mg

Lipinsky:
logP: 3.192
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 104
Number of rings: 1

     

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