General Information of the Compound
Compound ID
CP0469837
Compound Name
[3-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate
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Synonyms
1223397-11-2
3-Fluoro-1,2-phenylene bis(3-hydroxybenzoate)
AC-32898
AK685810
AKOS032945159
AOB5670
BCP24665
BDBM50444088
BS-14666
Benzoic acid, 3-hydroxy-, 1,1'-(3-fluoro-1,2-phenylene) ester
Bis(3-hydroxybenzoic acid)3-fluoro-1,2-phenylene ester
CCG-268262
CHEMBL3092944
CS-0015243
EX-A1492
HY-19331
NSC-750937
NSC750937
SCHEMBL19183300
WBZ117
WZB 117
WZB-117
WZB-117, >=98% (HPLC)
WZB117
ZINC103244507
[3-fluoro-2-(3-hydroxybenzoyl)oxyphenyl] 3-hydroxybenzoate
s7927
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Structure
Formula
C20H13FO6
Molecular Weight
368.316
Canonical SMILES
Oc1cccc(c1)C(=O)Oc1cccc(F)c1OC(=O)c1cccc(O)c1
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InChI
InChI=1S/C20H13FO6/c21-16-8-3-9-17(26-19(24)12-4-1-6-14(22)10-12)18(16)27-20(25)13-5-2-7-15(23)11-13/h1-11,22-23H
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InChIKey
FRSWCCBXIHFKKY-UHFFFAOYSA-N
Physicochemical Property
logP
3.6753
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
93.06
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 46830365
SID: 99208129
ChEMBL ID
CHEMBL3092944
DrugBank ID
DB16764
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: PT04657, Solute carrier family 2, facilitated glucose transporter member 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000095 NCI-H1299
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 10900 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( WZB-117 )
Drug Name WZB-117
Indication
Skin fibrosis
Preclinical
Target(s)
HepG2 glucose transporter (SLC2A1)
 Target Info 
Inhibitor