General Information of the Compound
Compound ID
CP0866757
Compound Name
2-Amino-N-(6-methoxy-quinolin-8-yl)-4-trifluoromethyl-benzenesulfonamide
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Structure
Formula
C17H14F3N3O3S
Molecular Weight
397.378
Canonical SMILES
COc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2N)c2ncccc2c1
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InChI
InChI=1S/C17H14F3N3O3S/c1-26-12-7-10-3-2-6-22-16(10)14(9-12)23-27(24,25)15-5-4-11(8-13(15)21)17(18,19)20/h2-9,23H,21H2,1H3
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InChIKey
RLTQBWBKOMVPOA-UHFFFAOYSA-N
Physicochemical Property
logP
3.6452
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
94.31
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 60164001
SID: 144111641
ChEMBL ID
CHEMBL3935005
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 = 1000 nM
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