COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK040192
Chemical Name: 1-(3-chloro-2-methyl-4,6-dinitrophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
Smiles: Cc1c(N2CCN(CC2)c2ccc(cc2[N+](=O)[O-])C(F)(F)F)c(cc(c1Cl)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 489.8
Empirical Formula: C18H15ClF3N5O6

Physical State: Dry powder
Available Amount: 471 mg

Lipinsky:
logP: 8.206
Rotatable bonds: 0
H-donors: 0
H-acceptors: 6
PSA: 143
Number of rings: 3

     

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