General Information of the Compound
Compound ID
CP0366178
Compound Name
N-[2-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]phenyl]acetamide
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Structure
Formula
C24H29N5O2
Molecular Weight
419.529
Canonical SMILES
CC(=O)Nc1ccccc1-c1cnc2nc(oc2c1)N1CCC(CC1)N1CCCCC1
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InChI
InChI=1S/C24H29N5O2/c1-17(30)26-21-8-4-3-7-20(21)18-15-22-23(25-16-18)27-24(31-22)29-13-9-19(10-14-29)28-11-5-2-6-12-28/h3-4,7-8,15-16,19H,2,5-6,9-14H2,1H3,(H,26,30)
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InChIKey
UVRSNTWWFLTVDB-UHFFFAOYSA-N
Physicochemical Property
logP
4.3029
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
74.5
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
31

"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: 57393969
ChEMBL ID
CHEMBL1958150
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 = 1526 nM
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