COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK389833
Chemical Name: (2E)-3-(3,5-dibromo-2-methoxyphenyl)-1-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}prop-2-en-1-one
Smiles: COc1c(/C=C/C(=O)N2CCN(CC2)c2ccc(cc2[N+](=O)[O-])C(F)(F)F)cc(cc1Br)Br

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Molecular Weight: 593.19
Empirical Formula: C21H18Br2F3N3O4

Physical State: Dry powder
Available Amount: 384 mg

Lipinsky:
logP: 6.904
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 78
Number of rings: 3

     

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