General Information of the Compound
Compound ID
CP0205482
Compound Name
7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
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Structure
Formula
C24H26N6O2
Molecular Weight
430.512
Canonical SMILES
O=c1ccnc2ccc(cn12)-c1cnc2nc(oc2c1)N1CCC(CC1)N1CCCCC1
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InChI
InChI=1S/C24H26N6O2/c31-22-6-9-25-21-5-4-17(16-30(21)22)18-14-20-23(26-15-18)27-24(32-20)29-12-7-19(8-13-29)28-10-2-1-3-11-28/h4-6,9,14-16,19H,1-3,7-8,10-13H2
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InChIKey
JFZFVXXUKMKJIL-UHFFFAOYSA-N
Physicochemical Property
logP
3.3524
Rotatable Bonds
3
Heavy Atom Count
32
Polar Areas
79.77
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Complexity
32

"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: 57390433
ChEMBL ID
CHEMBL1958175
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 119 nM
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