General Information of the Compound
Compound ID
CP0465036
Compound Name
7-(4-(4-(7-fluoronaphthalen-1-yl)piperazin-1-yl)butoxy)-3,4-dihydro-1,8-naphthyridin-2(1H)-one
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Structure
Formula
C26H29FN4O2
Molecular Weight
448.542
Canonical SMILES
Fc1ccc2cccc(N3CCN(CCCCOc4ccc5CCC(=O)Nc5n4)CC3)c2c1
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InChI
InChI=1S/C26H29FN4O2/c27-21-9-6-19-4-3-5-23(22(19)18-21)31-15-13-30(14-16-31)12-1-2-17-33-25-11-8-20-7-10-24(32)28-26(20)29-25/h3-6,8-9,11,18H,1-2,7,10,12-17H2,(H,28,29,32)
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InChIKey
CGVZEZGEEUBAEK-UHFFFAOYSA-N
Physicochemical Property
logP
4.2398
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
57.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
33

"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: 11554167
SID: 16656395
ChEMBL ID
CHEMBL1774086
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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 1.1 nM
   TI
   LI
   LO
   TS
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 1.2 nM
   TI
   LI
   LO
   TS