General Information of the Compound
Compound ID
CP0422718
Compound Name
N-[3,5-bis(trifluoromethyl)phenyl]-4-chloro-2-(trifluoromethyl)benzamide
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Structure
Formula
C16H7ClF9NO
Molecular Weight
435.673
Canonical SMILES
FC(F)(F)c1cc(NC(=O)c2ccc(Cl)cc2C(F)(F)F)cc(c1)C(F)(F)F
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InChI
InChI=1S/C16H7ClF9NO/c17-9-1-2-11(12(6-9)16(24,25)26)13(28)27-10-4-7(14(18,19)20)3-8(5-10)15(21,22)23/h1-6H,(H,27,28)
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InChIKey
BIERQYNFZBWBRU-UHFFFAOYSA-N
Physicochemical Property
logP
6.6487
Rotatable Bonds
2
Heavy Atom Count
28
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
28

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 10717756
SID: 15752936
ChEMBL ID
CHEMBL132457
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04205, Transcription factor Jun
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000001 Jurkat Homo sapiens (Human)  1
1
IC50 > 30000 nM
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   LI
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