General Information of the Compound
Compound ID
CP0457679
Compound Name
Cloperastine
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Synonyms
1-(2-((4-Chlorophenyl)(phenyl)methoxy)ethyl)piperidine hydrochloride
1-(2-((p-Chloro-alpha-phenylbenzyl)oxy)ethyl)piperidine hydrochloride
1-(2-(p-Cloro-alpha-fenilbenzilossi)etil)piperidina cloridrato [Italian]
14984-68-0
2-Piperidinoethyl p-chlorobenzhydryl ether hydrochloride
4-Chlorobenzhydryl 2-(1-Piperidyl)ethyl Ether Hydrochloride
Cloperastina cloridrato [Italian]
Cloperastine
Cloperastine HCl
Cloperastine hydrochloride
DSSTox_CID_25413
DSSTox_GSID_45413
DSSTox_RID_80863
EINECS 239-067-8
Q-200881
Seki
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Structure
Formula
C20H24ClNO
Molecular Weight
329.871
Canonical SMILES
Clc1ccc(cc1)C(OCCN1CCCCC1)c1ccccc1
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InChI
InChI=1S/C20H24ClNO/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22/h1,3-4,7-12,20H,2,5-6,13-16H2
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InChIKey
FLNXBVJLPJNOSI-UHFFFAOYSA-N
Physicochemical Property
logP
4.9319
Rotatable Bonds
6
Heavy Atom Count
23
Polar Areas
12.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 2805
SID: 15025320
ChEMBL ID
CHEMBL415087
DrugBank ID
DB09002
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: PT03795, Solute carrier family 22 member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 14890 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Cloperastine )
Drug Name Cloperastine
Indication
Cough
Approved