General Information of the Compound
Compound ID
CP0754074
Compound Name
N-[3-(Trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzenesulfonamide
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Structure
Formula
C14H9F6NO3S
Molecular Weight
385.285
Canonical SMILES
O=S(=O)(Nc1cccc(OC(F)(F)F)c1)c1ccccc1C(F)(F)F
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InChI
InChI=1S/C14H9F6NO3S/c15-13(16,17)11-6-1-2-7-12(11)25(22,23)21-9-4-3-5-10(8-9)24-14(18,19)20/h1-8,21H
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InChIKey
HXOYFKVZKSXQGA-UHFFFAOYSA-N
Physicochemical Property
logP
4.4048
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
55.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 31809103
ChEMBL ID
CHEMBL3962348
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: PT03073, Solute carrier family 22 member 12
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1480 nM
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