General Information of the Compound
Compound ID
CP0506283
Compound Name
2-Methyl-3-[4-(4-piperidinyloxy)phenyl]-4(3H)-quinazolinone
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Structure
Formula
C20H21N3O2
Molecular Weight
335.407
Canonical SMILES
Cc1nc2ccccc2c(=O)n1-c1ccc(OC2CCNCC2)cc1
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InChI
InChI=1S/C20H21N3O2/c1-14-22-19-5-3-2-4-18(19)20(24)23(14)15-6-8-16(9-7-15)25-17-10-12-21-13-11-17/h2-9,17,21H,10-13H2,1H3
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InChIKey
SGUTYQRGKCLTRL-UHFFFAOYSA-N
Physicochemical Property
logP
2.82492
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
56.15
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 23151166
SID: 56466051
ChEMBL ID
CHEMBL449178
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 > 1000 nM
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