COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK437980
Chemical Name: (2E)-3-(2-chloro-6-fluorophenyl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}prop-2-en-1-one
Smiles: O=C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)/C=C/c1c(F)cccc1Cl

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Molecular Weight: 412.81
Empirical Formula: C20H17ClF4N2O

Physical State: Dry powder
Available Amount: 67 mg

Lipinsky:
logP: 4.253
Rotatable bonds: 2
H-donors: 0
H-acceptors: 1
PSA: 23
Number of rings: 3

     

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