COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK016072
Chemical Name: 5-[({3-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]phenyl}carbonyl)amino]benzene-1,3-dicarboxylicacid
Smiles: O=C(c1cccc(c1)N1C(=O)c2c(C1=O)cc(cc2)Oc1cccc(c1)[N+](=O)[O-])Nc1cc(cc(c1)C(=O)O)C(=O)O

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Molecular Weight: 567.47
Empirical Formula: C29H17N3O10

Physical State: Dry powder
Available Amount: 85 mg

Lipinsky:
logP: 5.074
Rotatable bonds: 7
H-donors: 3
H-acceptors: 10
PSA: 196
Number of rings: 5

     

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