General Information of the Compound
Compound ID
CP0930470
Compound Name
N-(5-Morpholin-4-yl-quinolin-8-yl)-benzenesulfonamide
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Structure
Formula
C19H19N3O3S
Molecular Weight
369.446
Canonical SMILES
O=S(=O)(Nc1ccc(N2CCOCC2)c2cccnc12)c1ccccc1
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InChI
InChI=1S/C19H19N3O3S/c23-26(24,15-5-2-1-3-6-15)21-17-8-9-18(22-11-13-25-14-12-22)16-7-4-10-20-19(16)17/h1-10,21H,11-14H2
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InChIKey
UZLUVADDCQYLCO-UHFFFAOYSA-N
Physicochemical Property
logP
2.8722
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
71.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 68183078
ChEMBL ID
CHEMBL3901927
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 = 25000 nM
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