General Information of the Compound
Compound ID
CP0869081
Compound Name
2-Amino-N-(5-chloro-quinolin-8-yl)-4-methyl-benzenesulfonamide
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Structure
Formula
C16H14ClN3O2S
Molecular Weight
347.827
Canonical SMILES
Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)c(N)c1
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InChI
InChI=1S/C16H14ClN3O2S/c1-10-4-7-15(13(18)9-10)23(21,22)20-14-6-5-12(17)11-3-2-8-19-16(11)14/h2-9,20H,18H2,1H3
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InChIKey
IMVOLRAVULIZPI-UHFFFAOYSA-N
Physicochemical Property
logP
3.57962
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
85.08
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 68183369
ChEMBL ID
CHEMBL3950686
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 = 1220 nM
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