COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK388911
Chemical Name: 2-(3-nitrophenyl)-2-oxoethyl2-[2-({2-[2-(3-nitrophenyl)-2-oxoethoxy]-2-oxoethyl}amino)-2-oxoethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Smiles: O=C(OCC(=O)c1cccc(c1)[N+](=O)[O-])CNC(=O)CN1C(=O)c2c(C1=O)ccc(c2)C(=O)OCC(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 632.5
Empirical Formula: C29H20N4O13

Physical State: Dry powder
Available Amount: 226 mg

Lipinsky:
logP: 3.571
Rotatable bonds: 13
H-donors: 1
H-acceptors: 13
PSA: 244
Number of rings: 4

     

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