COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL448749
Chemical Name: 2-(3-methylbenzyl)-4-[(4-nitrophenyl)amino]-4-oxobutanoicacid
Smiles: O=C(CC(C(=O)O)Cc1cccc(c1)C)Nc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 342.35
Empirical Formula: C18H18N2O5

Physical State: Dry powder
Available Amount: 107 mg

Lipinsky:
logP: 4.036
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 112
Number of rings: 2

     

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