General Information of the Compound
Compound ID
CP0564428
Compound Name
4-[5-[[1-(5-methoxy-1H-indol-3-yl)propan-2-ylamino]methyl]furan-2-yl]phenol
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Structure
Formula
C23H24N2O3
Molecular Weight
376.456
Canonical SMILES
COc1ccc2[nH]cc(CC(C)NCc3ccc(o3)-c3ccc(O)cc3)c2c1
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InChI
InChI=1S/C23H24N2O3/c1-15(11-17-13-25-22-9-7-19(27-2)12-21(17)22)24-14-20-8-10-23(28-20)16-3-5-18(26)6-4-16/h3-10,12-13,15,24-26H,11,14H2,1-2H3
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InChIKey
CZYILNNHLGIGSE-UHFFFAOYSA-N
Physicochemical Property
logP
4.8629
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
70.42
Hydrogen Bond Donor Count
3
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: 155532544
ChEMBL ID
CHEMBL4467357
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 = 345 nM
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