COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK269518
Chemical Name: 2-(4-methyl-3-nitrophenyl)-2-oxoethyl3-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate
Smiles: CC1C=CCC2C1C(=O)N(C2=O)c1cccc(c1)C(=O)OCC(=O)c1ccc(c(c1)[N+](=O)[O-])C

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Molecular Weight: 462.46
Empirical Formula: C25H22N2O7

Physical State: Dry powder
Available Amount: 177 mg

Lipinsky:
logP: 3.629
Rotatable bonds: 5
H-donors: 0
H-acceptors: 7
PSA: 126
Number of rings: 4

     

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