General Information of the Compound
Compound ID
CP0957693
Compound Name
N-(3-chloro-2-methylphenyl)[(5-chloroquinolin-8-yl)amino]sulfonamide
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Structure
Formula
C16H13Cl2N3O2S
Molecular Weight
382.272
Canonical SMILES
Cc1c(Cl)cccc1NS(=O)(=O)Nc1ccc(Cl)c2cccnc12
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InChI
InChI=1S/C16H13Cl2N3O2S/c1-10-12(17)5-2-6-14(10)20-24(22,23)21-15-8-7-13(18)11-4-3-9-19-16(11)15/h2-9,20-21H,1H3
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InChIKey
YZFLTCPTELNQFS-UHFFFAOYSA-N
Physicochemical Property
logP
4.61882
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
71.09
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 68183263
ChEMBL ID
CHEMBL3965422
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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