General Information of the Compound
Compound ID
CP0177532
Compound Name
7-(3-morpholinopropoxy)-4-phenyl-1,2,3,4-tetrahydro-2,6-naphthyridine
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Structure
Formula
C21H27N3O2
Molecular Weight
353.466
Canonical SMILES
C(COc1cc2CNCC(c3ccccc3)c2cn1)CN1CCOCC1
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InChI
InChI=1S/C21H27N3O2/c1-2-5-17(6-3-1)19-15-22-14-18-13-21(23-16-20(18)19)26-10-4-7-24-8-11-25-12-9-24/h1-3,5-6,13,16,19,22H,4,7-12,14-15H2
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InChIKey
XEZZJFIWRQIMPS-UHFFFAOYSA-N
Physicochemical Property
logP
2.4178
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
46.62
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 15982171
SID: 24261177
ChEMBL ID
CHEMBL391605
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000074 SK-N-MC Homo sapiens (Human)  1
1
Ki = 13 nM
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