General Information of the Compound
Compound ID
CP0709534
Compound Name
3'-fluoro-4-hydroxy-4'-methoxybiphenyl-3-carbaldehyde oxime
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Structure
Formula
C14H12FNO3
Molecular Weight
261.252
Canonical SMILES
COc1ccc(-c2ccc(O)c(/C=N/O)c2)cc1F
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InChI
InChI=1S/C14H12FNO3/c1-19-14-5-3-10(7-12(14)15)9-2-4-13(17)11(6-9)8-16-18/h2-8,17-18H,1H3/b16-8+
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InChIKey
OASPDDCTXCUYQB-LZYBPNLTSA-N
Physicochemical Property
logP
3.015
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
62.05
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 135931714
SID: 57415330
ChEMBL ID
CHEMBL449451
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000095 NCI-H1299 Homo sapiens (Human)  1
1
IC50 = 8500 nM
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