General Information of the Compound
Compound ID
CP0031984
Compound Name
5-chloro-2-(2,4-dichlorophenoxy)phenol
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Synonyms
Aquasept
2,4,4'-Trichloro-2'-hydroxy diphenyl ether
2,4,4'-Trichloro-2'-hydroxydiphenyl ether
2-Hydroxy-2',4,4'-trichlorodiphenyl Ether
3380-34-5
5-CHLORO-2-(2,4-DICHLOROPHENOXY)PHENOL
5-Chloro-2-(2,4-dichloro-phenoxy)-phenol
C12H7Cl3O2
CH 3565
CH-3565
CHEBI:164200
CHEMBL849
Caswell No 186A
Clearasil DailyFace Wash
Cliniclean
Cloxifenol
Cloxifenolum
DP-300
Dermtek Brand of Triclosan
EINECS 222-182-2
EPA
Ether, 2'-hydroxy-2,4,4'-trichlorodiphenyl
GlaxoSmithKline Brand of Triclosan
HSDB 7194
IN1424
Irgasan
Irgasan DP 300
Irgasan DP300
Johnson & Johnson Brand of Triclosan
Lexol 300
Manusept
Microshield T
Oxy Skin Wash
Pharmachem Brand of Triclosan
Phenol, 5-chloro-2-(2,4-dichlorophenoxy)-
Phenyl ether, 2'-hydroxy-2,4,4'-trichloro-
Procter & Gamble Brand of Triclosan
Reckitt Brand of Triclosan
SSL Brand of Triclosan
Sapoderm
Ster Zac Bath Concentrate
Ster-Zac Bath Concentrate
SterZac Bath Concentrate
Stri-Dex Cleansing Bar
Stri-Dex Face Wash
Stri-Dex cleansing bar (TN)
TCL
Trans Canaderm Brand of Triclosan
Triclosan
Triclosan (USP/INN)
Triclosan Pharmachem Brand
Triclosan Reckitt Brand
Triclosan [USAN:BAN:INN]
Triclosanum
Triclosanum [INN-Latin]
Trisan
UNII-4NM5039Y5X
WL-1001
triclosan
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Structure
Formula
C12H7Cl3O2
Molecular Weight
289.545
Canonical SMILES
Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
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InChI
InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H
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InChIKey
XEFQLINVKFYRCS-UHFFFAOYSA-N
CAS
3380-34-5
112099-35-1
88032-08-0
Physicochemical Property
logP
5.1447
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
29.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 5564
SID: 14922470
ChEMBL ID
CHEMBL849
DrugBank ID
DB08604
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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 23109.3 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Triclosan )
Drug Name Triclosan
Indication
Malaria
Approved
Trypanosomiasis
Investigative
Infection of P. falciparum
Investigative
Target(s)
Plasmodium Enoyl-ACP reductase (Malaria fabI)
Binder