General Information of the Compound
Compound ID
CP0046749
Compound Name
3-(3,5-Dibromo-4-hydroxy-benzylidene)-5-iodo-1,3-dihydro-indol-2-one
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Synonyms
(3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
(Z)-3-(3,5-Dibromo-4-hydroxybenzylidene)-5-iodoindolin-2-one
220904-83-6
3-(3,5-Dibromo-4-hydroxy-benzylidene)-5-iodo-1,3-dihydro-indol-2-one
3-(3,5-Dibromo-4-hydroxybenzyliden)-5-iodo-1,3-dihydroindol-2-one
5-Iodo-3-[(3,5-dibromo-4-hydroxyphenyl)methylene]-2-indolinone
B7W8RS1GG2
CHEMBL72365
GW 5074
GW-5074
Raf1 Kinase Inhibitor I
SR-01000075897
STO521
Tocris-1381
UNII-B7W8RS1GG2
gw5074
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Structure
Formula
C15H8Br2INO2
Molecular Weight
520.946
Canonical SMILES
Oc1c(Br)cc(\C=C2/C(=O)Nc3ccc(I)cc23)cc1Br
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InChI
InChI=1S/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3-
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InChIKey
LMXYVLFTZRPNRV-KMKOMSMNSA-N
Physicochemical Property
logP
5.0145
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
49.33
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: 5924208
SID: 14762864
ChEMBL ID
CHEMBL72365
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: PT01065, Serine/threonine-protein kinase mTOR
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast]
 Cell Line Info 
Mus musculus (Mouse)  1
1
Potency = 4645.1 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( GW-5074 )
Drug Name GW-5074
Target(s)
Raf messenger RNA (Raf mRNA)
 Target Info 
Inhibitor
Tropomyosin-related kinase A (TrkA)
 Target Info 
Inhibitor