COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK286596
Chemical Name: 2-(4-methylphenyl)-2-oxoethyl4-({5-[2-(3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl}amino)benzoate
Smiles: O=C(OCC(=O)c1cccc(c1)[N+](=O)[O-])CCCC(=O)Nc1ccc(cc1)C(=O)OCC(=O)c1ccc(cc1)C

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Molecular Weight: 546.53
Empirical Formula: C29H26N2O9

Physical State: Dry powder
Available Amount: 156 mg

Lipinsky:
logP: 5.517
Rotatable bonds: 11
H-donors: 1
H-acceptors: 9
PSA: 161
Number of rings: 3

     

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