COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK158085
Chemical Name: 2-chloro-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}naphthalene-1,4-dione
Smiles: O=C1C(=C(N2CCN(CC2)c2ccc(cc2[N+](=O)[O-])C(F)(F)F)C(=O)c2c1cccc2)Cl

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Molecular Weight: 465.82
Empirical Formula: C21H15ClF3N3O4

Physical State: Dry powder
Available Amount: 404 mg

Lipinsky:
logP: 5.934
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 86
Number of rings: 4

     

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