COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK000838
Chemical Name: 3,5-bis{[(3,5-dinitrophenyl)carbonyl]amino}benzoicacid
Smiles: OC(=O)c1cc(cc(c1)NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 540.36
Empirical Formula: C21H12N6O12

Physical State: Dry powder
Available Amount: 140 mg

Lipinsky:
logP: 3.468
Rotatable bonds: 1
H-donors: 3
H-acceptors: 12
PSA: 278
Number of rings: 3

     

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