General Information of the Compound
Compound ID
CP0942403
Compound Name
Quinolin-8-yl-sulfamic acid phenyl ester
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Structure
Formula
C15H12N2O3S
Molecular Weight
300.339
Canonical SMILES
O=S(=O)(Nc1cccc2cccnc12)Oc1ccccc1
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InChI
InChI=1S/C15H12N2O3S/c18-21(19,20-13-8-2-1-3-9-13)17-14-10-4-6-12-7-5-11-16-15(12)14/h1-11,17H
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InChIKey
QGMBUYRYUMMORJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.9705
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
68.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 68183292
ChEMBL ID
CHEMBL3904127
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 = 3250 nM
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