General Information of the Compound
Compound ID
CP0349446
Compound Name
2-amino-N-(6-methoxyquinolin-8-yl)-4-methylbenzenesulfonamide
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Structure
Formula
C17H17N3O3S
Molecular Weight
343.408
Canonical SMILES
COc1cc(NS(=O)(=O)c2ccc(C)cc2N)c2ncccc2c1
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InChI
InChI=1S/C17H17N3O3S/c1-11-5-6-16(14(18)8-11)24(21,22)20-15-10-13(23-2)9-12-4-3-7-19-17(12)15/h3-10,20H,18H2,1-2H3
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InChIKey
SGADTTGVWFMUEK-UHFFFAOYSA-N
Physicochemical Property
logP
2.93482
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
94.31
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 16759911
ChEMBL ID
CHEMBL256061
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: PT05222, NF-kappa-B inhibitor alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000106 OCI-Ly3 Homo sapiens (Human)  1
1
EC50 = 4000 nM
   TI
   LI
   LO
   TS
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 = 585 nM
   TI
   LI
   LO
   TS