General Information of the Compound
Compound ID
CP0482347
Compound Name
N,N-dibenzyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine
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Structure
Formula
C31H30N2O
Molecular Weight
446.594
Canonical SMILES
C(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)N(Cc1ccccc1)Cc1ccccc1
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InChI
InChI=1S/C31H30N2O/c1-4-10-25(11-5-1)22-33(23-26-12-6-2-7-13-26)19-18-28-21-32-31-17-16-29(20-30(28)31)34-24-27-14-8-3-9-15-27/h1-17,20-21,32H,18-19,22-24H2
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InChIKey
RBQTUVBOTSEYQB-UHFFFAOYSA-N
Physicochemical Property
logP
6.9918
Rotatable Bonds
10
Heavy Atom Count
34
Polar Areas
28.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
34

"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: 231355
ChEMBL ID
CHEMBL4287812
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: PT05529, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1900 nM
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