COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK157692
Chemical Name: 2-chloro-3-{4-[(2-nitrophenyl)sulfonyl]piperazin-1-yl}naphthalene-1,4-dione
Smiles: ClC1=C(N2CCN(CC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])C(=O)c2c(C1=O)cccc2

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Molecular Weight: 461.88
Empirical Formula: C20H16ClN3O6S

Physical State: Dry powder
Available Amount: 207 mg

Lipinsky:
logP: 3.858
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 128
Number of rings: 4

     

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