General Information of the Compound
Compound ID
CP0960142
Compound Name
2-Amino-N-quinolin-8-yl-4-trifluoromethyl-benzenesulfonamide
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Structure
Formula
C16H12F3N3O2S
Molecular Weight
367.352
Canonical SMILES
Nc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc2cccnc12
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InChI
InChI=1S/C16H12F3N3O2S/c17-16(18,19)11-6-7-14(12(20)9-11)25(23,24)22-13-5-1-3-10-4-2-8-21-15(10)13/h1-9,22H,20H2
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InChIKey
RRBLHSDHBNSINM-UHFFFAOYSA-N
Physicochemical Property
logP
3.6366
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
85.08
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 16759548
SID: 144111391
ChEMBL ID
CHEMBL3979691
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 = 760 nM
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