General Information of the Compound
Compound ID
CP0562344
Compound Name
N-[2-(1H-indol-3-yl)ethyl]-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
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Structure
Formula
C24H26N2O
Molecular Weight
358.485
Canonical SMILES
CCCN(CCc1c[nH]c2ccccc12)Cc1ccc(o1)-c1ccccc1
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InChI
InChI=1S/C24H26N2O/c1-2-15-26(16-14-20-17-25-23-11-7-6-10-22(20)23)18-21-12-13-24(27-21)19-8-4-3-5-9-19/h3-13,17,25H,2,14-16,18H2,1H3
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InChIKey
QFXDBYVYTITKDW-UHFFFAOYSA-N
Physicochemical Property
logP
5.8826
Rotatable Bonds
8
Heavy Atom Count
27
Polar Areas
32.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
27

"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: 155543054
ChEMBL ID
CHEMBL4522432
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 334 nM
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