General Information of the Compound
Compound ID
CP0419595
Compound Name
5-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-5-phenylpentanamide
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Structure
Formula
C22H25NO2
Molecular Weight
335.447
Canonical SMILES
OC(CCCC(=O)NCCC1=CCc2ccccc12)c1ccccc1
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InChI
InChI=1S/C22H25NO2/c24-21(19-8-2-1-3-9-19)11-6-12-22(25)23-16-15-18-14-13-17-7-4-5-10-20(17)18/h1-5,7-10,14,21,24H,6,11-13,15-16H2,(H,23,25)
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InChIKey
PGWPCIPGEIHMJD-UHFFFAOYSA-N
Physicochemical Property
logP
4.0363
Rotatable Bonds
8
Heavy Atom Count
25
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 44406863
ChEMBL ID
CHEMBL381325
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: PT01195, D(1A) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01169, D(1B) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS