COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK680534
Chemical Name: 3-[1,5-dinitro-8-oxo-9-(2-oxo-2-phenylethyl)-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoicacid
Smiles: OC(=O)CCN1CC2(C=CC(=O)C(C1)(C2CC(=O)c1ccccc1)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 417.38
Empirical Formula: C19H19N3O8

Physical State: Dry powder
Available Amount: 17 mg

Lipinsky:
logP: 3.667
Rotatable bonds: 6
H-donors: 1
H-acceptors: 8
PSA: 166
Number of rings: 3

     

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