General Information of the Compound
Compound ID
CP0007708
Compound Name
6-morpholin-4-yl-N-(4-pyridin-3-ylphenyl)hexanamide
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Structure
Formula
C21H27N3O2
Molecular Weight
353.466
Canonical SMILES
O=C(CCCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
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InChI
InChI=1S/C21H27N3O2/c25-21(6-2-1-3-12-24-13-15-26-16-14-24)23-20-9-7-18(8-10-20)19-5-4-11-22-17-19/h4-5,7-11,17H,1-3,6,12-16H2,(H,23,25)
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InChIKey
PKCLBDSDKDRNJH-UHFFFAOYSA-N
Physicochemical Property
logP
3.5797
Rotatable Bonds
8
Heavy Atom Count
26
Polar Areas
54.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 70683222
ChEMBL ID
CHEMBL2012937
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS