General Information of the Compound
Compound ID
CP0373079
Compound Name
3-(4-[(1-Cyclobutyl-3-pyrrolidinyl)oxy]phenyl)-2-methyl-4(3H)-quinazolinone
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Structure
Formula
C23H25N3O2
Molecular Weight
375.472
Canonical SMILES
Cc1nc2ccccc2c(=O)n1-c1ccc(OC2CCN(C2)C2CCC2)cc1
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InChI
InChI=1S/C23H25N3O2/c1-16-24-22-8-3-2-7-21(22)23(27)26(16)18-9-11-19(12-10-18)28-20-13-14-25(15-20)17-5-4-6-17/h2-3,7-12,17,20H,4-6,13-15H2,1H3
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InChIKey
WIFJYCDZRGWRGW-UHFFFAOYSA-N
Physicochemical Property
logP
3.69972
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
47.36
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 23151143
SID: 56466675
ChEMBL ID
CHEMBL485234
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 = 103 nM
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