General Information of the Compound
Compound ID
CP0421349
Compound Name
2-(5-methoxy-1H-indol-3-yl)-N-[[5-(4-methoxyphenyl)furan-2-yl]methyl]ethanamine
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Structure
Formula
C23H24N2O3
Molecular Weight
376.456
Canonical SMILES
COc1ccc(cc1)-c1ccc(CNCCc2c[nH]c3ccc(OC)cc23)o1
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InChI
InChI=1S/C23H24N2O3/c1-26-18-5-3-16(4-6-18)23-10-8-20(28-23)15-24-12-11-17-14-25-22-9-7-19(27-2)13-21(17)22/h3-10,13-14,24-25H,11-12,15H2,1-2H3
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InChIKey
VOQWGUWQIPPYSL-UHFFFAOYSA-N
Physicochemical Property
logP
4.7774
Rotatable Bonds
8
Heavy Atom Count
28
Polar Areas
59.42
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 155541866
ChEMBL ID
CHEMBL4519266
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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 334 nM
   TI
   LI
   LO
   TS
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 35 nM
   TI
   LI
   LO
   TS
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 = 90 nM
   TI
   LI
   LO
   TS
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 3298 nM
   TI
   LI
   LO
   TS
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1365 nM
   TI
   LI
   LO
   TS