COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK012453
Chemical Name: (2E)-3-(2,4-dichlorophenyl)-1-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}prop-2-en-1-one
Smiles: Clc1ccc(c(c1)Cl)/C=C/C(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F

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Molecular Weight: 474.27
Empirical Formula: C20H16Cl2F3N3O3

Physical State: Dry powder
Available Amount: 185 mg

Lipinsky:
logP: 6.135
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 69
Number of rings: 3

     

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