COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK147713
Chemical Name: (2-methylphenyl)[4-(4-nitro-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}phenyl)piperazin-1-yl]methanone
Smiles: [O-][N+](=O)c1ccc(cc1N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)N1CCN(CC1)C(=O)c1ccccc1C

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Molecular Weight: 598.58
Empirical Formula: C29H29F3N6O5

Physical State: Dry powder
Available Amount: 122 mg

Lipinsky:
logP: 7.253
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 121
Number of rings: 5

     

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