COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK081407
Chemical Name: 4,5-dimethoxy-2-{[3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}benzoicacid
Smiles: COc1cc(C(=O)O)c(cc1OC)NC(=O)CCN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-]

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Molecular Weight: 443.37
Empirical Formula: C20H17N3O9

Physical State: Dry powder
Available Amount: 326 mg

Lipinsky:
logP: 3.704
Rotatable bonds: 7
H-donors: 2
H-acceptors: 9
PSA: 168
Number of rings: 3

     

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