COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK102032
Chemical Name: 2-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-4-nitro-1H-isoindole-1,3(2H)-dione
Smiles: COc1ccccc1N1CCN(CC1)C(=O)CN1C(=O)c2c(C1=O)cccc2[N+](=O)[O-]

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Molecular Weight: 424.41
Empirical Formula: C21H20N4O6

Physical State: Dry powder
Available Amount: 431 mg

Lipinsky:
logP: 2.153
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 115
Number of rings: 4

     

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