COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK206115
Chemical Name: (3-chloro-4-methylphenyl){4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
Smiles: O=C(c1ccc(c(c1)Cl)C)N1CCN(CC1)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

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Molecular Weight: 472.81
Empirical Formula: C19H16ClF3N4O5

Physical State: Dry powder
Available Amount: 119 mg

Lipinsky:
logP: 6.142
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 115
Number of rings: 3

     

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