General Information of the Compound
Compound ID
CP0463015
Compound Name
6-(6-ethylpyridin-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
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Structure
Formula
C23H29N5O
Molecular Weight
391.519
Canonical SMILES
CCc1cccc(n1)-c1cnc2nc(oc2c1)N1CCC(CC1)N1CCCCC1
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InChI
InChI=1S/C23H29N5O/c1-2-18-7-6-8-20(25-18)17-15-21-22(24-16-17)26-23(29-21)28-13-9-19(10-14-28)27-11-4-3-5-12-27/h6-8,15-16,19H,2-5,9-14H2,1H3
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InChIKey
VBUVGSCCBSYFOT-UHFFFAOYSA-N
Physicochemical Property
logP
4.3019
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
58.29
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 57390469
ChEMBL ID
CHEMBL1958168
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 = 79 nM
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