COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK346386
Chemical Name: (5-bromo-2-methoxy-3-methylphenyl){4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
Smiles: COc1c(C)cc(cc1C(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)Br

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Molecular Weight: 502.29
Empirical Formula: C20H19BrF3N3O4

Physical State: Dry powder
Available Amount: 241 mg

Lipinsky:
logP: 5.886
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 78
Number of rings: 3

     

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