COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL348046
Chemical Name: 2-[1-(4-cyclohexylpiperazin-1-yl)-3-(4-hydroxy-3-nitrophenyl)-1-oxopropan-2-yl]-1H-isoindole-1,3(2H)-dione
Smiles: O=C(C(N1C(=O)c2c(C1=O)cccc2)Cc1ccc(c(c1)[N+](=O)[O-])O)N1CCN(CC1)C1CCCCC1

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Molecular Weight: 506.56
Empirical Formula: C27H30N4O6

Available Amount: 0 mg

Lipinsky:
logP: 4.955
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 126
Number of rings: 5

     

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