General Information of the Compound
Compound ID
CP0005787
Compound Name
N-[4-(1H-indol-5-yl)phenyl]-5-morpholin-4-ylpentanamide
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Structure
Formula
C23H27N3O2
Molecular Weight
377.488
Canonical SMILES
O=C(CCCCN1CCOCC1)Nc1ccc(cc1)-c1ccc2[nH]ccc2c1
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InChI
InChI=1S/C23H27N3O2/c27-23(3-1-2-12-26-13-15-28-16-14-26)25-21-7-4-18(5-8-21)19-6-9-22-20(17-19)10-11-24-22/h4-11,17,24H,1-3,12-16H2,(H,25,27)
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InChIKey
VQAKCAYUDLVXIB-UHFFFAOYSA-N
Physicochemical Property
logP
4.2759
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
57.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 118735738
ChEMBL ID
CHEMBL3422582
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: PT02118, Neuronal acetylcholine receptor subunit alpha-7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000029 GH4C1 Rattus norvegicus (Rat)  1
1
EC50 = 997 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 310 nM
   TI
   LI
   LO
   TS