General Information of the Compound
Compound ID
CP0338988
Compound Name
7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]-3H-quinazolin-4-one
    Show/Hide
Structure
Formula
C24H26N6O2
Molecular Weight
430.512
Canonical SMILES
O=c1[nH]cnc2cc(ccc12)-c1cnc2nc(oc2c1)N1CCC(CC1)N1CCCCC1
    Show/Hide
InChI
InChI=1S/C24H26N6O2/c31-23-19-5-4-16(12-20(19)26-15-27-23)17-13-21-22(25-14-17)28-24(32-21)30-10-6-18(7-11-30)29-8-2-1-3-9-29/h4-5,12-15,18H,1-3,6-11H2,(H,26,27,31)
    Show/Hide
InChIKey
NVRMIMQONQVGHQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.581
Rotatable Bonds
3
Heavy Atom Count
32
Polar Areas
91.15
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 136042385
ChEMBL ID
CHEMBL1958171
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 = 153 nM
   TI
   LI
   LO
   TS