COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK158001
Chemical Name: 2-{5-[4-(benzylsulfonyl)piperazin-1-yl]-2-nitrophenyl}-4-phenylphthalazin-1(2H)-one
Smiles: O=c1c2ccccc2c(nn1c1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)Cc1ccccc1)c1ccccc1

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Molecular Weight: 581.65
Empirical Formula: C31H27N5O5S

Physical State: Dry powder
Available Amount: 434 mg

Lipinsky:
logP: 5.017
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 127
Number of rings: 6

     

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