General Information of the Compound
Compound ID
CP0481162
Compound Name
N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-N-propylpropan-1-amine
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Structure
Formula
C23H30N2O
Molecular Weight
350.506
Canonical SMILES
CCCN(CCC)CCc1c[nH]c2ccc(OCc3ccccc3)cc12
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InChI
InChI=1S/C23H30N2O/c1-3-13-25(14-4-2)15-12-20-17-24-23-11-10-21(16-22(20)23)26-18-19-8-6-5-7-9-19/h5-11,16-17,24H,3-4,12-15,18H2,1-2H3
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InChIKey
NGUXOFJZFALDHI-UHFFFAOYSA-N
Physicochemical Property
logP
5.4114
Rotatable Bonds
10
Heavy Atom Count
26
Polar Areas
28.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 14011045
ChEMBL ID
CHEMBL143745
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: PT00827, 5-hydroxytryptamine receptor 1D
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 470 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 470 nM
   TI
   LI
   LO
   TS