General Information of the Compound
Compound ID
CP0515178
Compound Name
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-8-phenyloctanamide
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Structure
Formula
C24H30N2O2
Molecular Weight
378.516
Canonical SMILES
Oc1ccc2[nH]cc(CCNC(=O)CCCCCCCc3ccccc3)c2c1
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InChI
InChI=1S/C24H30N2O2/c27-21-13-14-23-22(17-21)20(18-26-23)15-16-25-24(28)12-8-3-1-2-5-9-19-10-6-4-7-11-19/h4,6-7,10-11,13-14,17-18,26-27H,1-3,5,8-9,12,15-16H2,(H,25,28)
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InChIKey
WOBPQMHJUJMRCY-UHFFFAOYSA-N
Physicochemical Property
logP
5.1155
Rotatable Bonds
11
Heavy Atom Count
28
Polar Areas
65.12
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
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: 24749272
SID: 49651391
ChEMBL ID
CHEMBL394637
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: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 2130 nM
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