General Information of the Compound
Compound ID
CP0430893
Compound Name
8-(Tetrahydro-furan-3-ylmethoxy)-quinolin-2-ylamine
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Structure
Formula
C14H16N2O2
Molecular Weight
244.294
Canonical SMILES
Nc1ccc2cccc(OCC3CCOC3)c2n1
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InChI
InChI=1S/C14H16N2O2/c15-13-5-4-11-2-1-3-12(14(11)16-13)18-9-10-6-7-17-8-10/h1-5,10H,6-9H2,(H2,15,16)
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InChIKey
TXSBSDLVHXCOIO-UHFFFAOYSA-N
Physicochemical Property
logP
2.2323
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
57.37
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 22254632
ChEMBL ID
CHEMBL363311
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: PT01027, Melanin-concentrating hormone receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000863 I3.4.2 Homo sapiens (Human)  1
1
IC50 = 115 nM
   TI
   LI
   LO
   TS
CL000016 IMR-32 Homo sapiens (Human)  1
1
IC50 = 6240 nM
   TI
   LI
   LO
   TS