COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK158086
Chemical Name: 2-{4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}-3-chloronaphthalene-1,4-dione
Smiles: [O-][N+](=O)c1ccc(cc1NCc1ccccc1)N1CCN(CC1)C1=C(Cl)C(=O)c2c(C1=O)cccc2

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Molecular Weight: 502.96
Empirical Formula: C27H23ClN4O4

Physical State: Dry powder
Available Amount: 197 mg

Lipinsky:
logP: 6.474
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 98
Number of rings: 5

     

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