General Information of the Compound
Compound ID
CP0199415
Compound Name
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide
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Structure
Formula
C23H28N2O2
Molecular Weight
364.489
Canonical SMILES
CC(C)Cc1ccc(cc1)C(C)C(=O)NCCc1c[nH]c2ccc(O)cc12
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InChI
InChI=1S/C23H28N2O2/c1-15(2)12-17-4-6-18(7-5-17)16(3)23(27)24-11-10-19-14-25-22-9-8-20(26)13-21(19)22/h4-9,13-16,25-26H,10-12H2,1-3H3,(H,24,27)
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InChIKey
UJCVXWLSXCRHLZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.5344
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
65.12
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
27

"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: 118723548
ChEMBL ID
CHEMBL3359452
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
CL000612 BEAS-2B Homo sapiens (Human)  1
1
IC50 = 6000 nM
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