General Information of the Compound
Compound ID
CP0961660
Compound Name
N-[2-(Quinolin-8-ylsulfamoyl)-5-trifluoromethyl-phenyl]-acetamide
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Structure
Formula
C18H14F3N3O3S
Molecular Weight
409.389
Canonical SMILES
CC(=O)Nc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc2cccnc12
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InChI
InChI=1S/C18H14F3N3O3S/c1-11(25)23-15-10-13(18(19,20)21)7-8-16(15)28(26,27)24-14-6-2-4-12-5-3-9-22-17(12)14/h2-10,24H,1H3,(H,23,25)
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InChIKey
CTTFXHOOQVEMQT-UHFFFAOYSA-N
Physicochemical Property
logP
4.0128
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
88.16
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 68183415
ChEMBL ID
CHEMBL3953438
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: PT06104, Solute carrier family 40 member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 100000 nM
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