General Information of the Compound
Compound ID
CP0048396
Compound Name
HEXACHLOROPHENE
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Synonyms
2,2',3,3',5,5'-Hexachloro-6,6'-dihydroxydiphenylmethane
2,2'-Dihydroxy-3,5,6,3',5',6'-hexachlorodiphenylmethane
2,2'-Methylene bis(3,4,6-trichlorophenol)
2,2'-Methylenebis(3,4,6-trichlorophenol)
2,2'-Methylenebis[3,4,6-trichlorophenol]
2,2'-methanediylbis(3,4,6-trichlorophenol)
2,2-Methylene-bis-[3,4,6-trichlorophenol]
3,3',5,5',6,6'-Hexachloro-2,2'-dihydroxydiphenylmethane
3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol
AT 7
AT-7
AT17 (TN)
AT7 (TN)
Acigena
Acigena (TN)
Almederm
Almederm (TN)
Armohex
At-17
B & b Flea Kontroller for Dogs Only
B 32
B 32 (VAN)
Bilevon
Bilevon (TN)
Bis(2,3,5-tric hloro-6-hydroxyphenyl)methane
Bis(2,3,5-trichloro-6-hydroxyphenyl)methane
Bis(2-hydroxy-3,5,6-trichlorophenyl)methane
Bis(3,5,6-trichloro-2-hydroxyphenyl)-methane
Bis(3,5,6-trichloro-2-hydroxyphenyl)methane
Bis-2,3,5-trichlor-6-hydroxyfenylmethan
Bis-2,3,5-trichloro-6-hydroxyfenylmethan
Bis-2,3,5-trichloro-6-hydroxyfenylmethan [Czech]
Bivelon
Blockade Anti Bacterial Finish
Brevity Blue Liquid Bacteriostatic Scouring Cream
Brevity Blue Liquid Sanitizing Scouring Cream
Cotofilm
Dermadex
Distodin
E-Z Scrub
Eleven
En-Viron D Concentrated Phenolic Disinfectant
Enditch Pet Shampoo
Esaclorofene
Esaclorofene [DCIT]
Exofene
Exofene (TN)
Fascol
Fesia-sin
Fo stril
Fomac
Fostril
Fostril (TN)
G-11
G-11 (TN)
G-Eleven
G-II
GERMA-MEDICA (MG)
Gamophen
Gamophen (TN)
Gamophene
Germa-Medica
Germa-Medica (TN)
H3P
Hexa-Germ
Hexabalm
Hexachlorofen
Hexachlorofen [Czech]
Hexachlorophane
Hexachlorophen
Hexachlorophene
Hexachlorophene (USP/INN)
Hexachlorophene [INN]
Hexachlorophene [UN2875] [Poison]
Hexachlorophene, Pharma
Hexachlorophenum
Hexachlorophenum [INN-Latin]
Hexaclorofeno
Hexaclorofeno [INN-Spanish]
Hexafen
Hexaphene-LV
Hexascrub
Hexide
Hexophene
Hexosan
Hexosan (TN)
Hilo Cat Flea Powder
Hilo Flea Powder
Isobac
KSC-19-051
KUC106447N
M0219
Methane, bis(2,3,5-trichloro-6-hydroxyphenyl)
Methylenebis(3,4,6-trichlorophenol)
Nabac
Nabac 25 ec
Neosept V
PHisoHex
PRE-OP II
Pedigree Dog Shampoo Bar
Phiso-Scrub
Phisodan
Phisohex(TN)
Pre-Op
Ritosept
Scrubteam Surgical Spongebrush
Septi-Soft
Septisol
Septisol (TN)
Septofen
Solu-Heks
Soy-dome
Staphene O
Ster-zac
Steral
Steraskin
Surgi-Cen
Surgi-Cin
Surofene
Surofene (TN)
TRICHLOROPHENE
Tersaseptic
Thera-Groom Pet Shampoo for Dogs for Veterinary Use Only
Trisophen
Turgex
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Structure
Formula
C13H6Cl6O2
Molecular Weight
406.907
Canonical SMILES
Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl
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InChI
InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2
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InChIKey
ACGUYXCXAPNIKK-UHFFFAOYSA-N
CAS
70-30-4
8054-98-6
139411-96-4
Physicochemical Property
logP
6.609
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
40.46
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 3598
SID: 15352715
ChEMBL ID
CHEMBL496
DrugBank ID
DB00756
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: PT00820, Acetylcholinesterase
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 3014.9 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01002, Cytochrome P450 1A2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4
 Cell Line Info 
Trichoplusia ni (Cabbage looper)  1
1
IC50 = 1313.3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01049, Cytochrome P450 2C19
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4
 Cell Line Info 
Trichoplusia ni (Cabbage looper)  1
1
IC50 = 1226.5 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 5804.8 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT06124, Paired box protein Pax-8
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000097 RMG-I
 Cell Line Info 
Homo sapiens (Human)  1
1
AC50 = 3300 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT00901, Prostaglandin G/H synthase 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 644.3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Hexachlorophene )
Drug Name Hexachlorophene
Indication
Bacterial infection
Approved