General Information of the Compound
Compound ID
CP0526157
Compound Name
3-(4-[(1-Ethyl-4-piperidinyl)oxy]phenyl)-2-methyl-4(3H)-quinazolinone
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Structure
Formula
C22H25N3O2
Molecular Weight
363.461
Canonical SMILES
CCN1CCC(CC1)Oc1ccc(cc1)-n1c(C)nc2ccccc2c1=O
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InChI
InChI=1S/C22H25N3O2/c1-3-24-14-12-19(13-15-24)27-18-10-8-17(9-11-18)25-16(2)23-21-7-5-4-6-20(21)22(25)26/h4-11,19H,3,12-15H2,1-2H3
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InChIKey
HIJRHPJHLUTNER-UHFFFAOYSA-N
Physicochemical Property
logP
3.55722
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
47.36
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 11537851
SID: 16639945
ChEMBL ID
CHEMBL483189
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 49 nM
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