General Information of the Compound
Compound ID
CP0719928
Compound Name
4-hydroxy-4'-methoxybiphenyl-3-carbaldehyde oxime
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Structure
Formula
C14H13NO3
Molecular Weight
243.262
Canonical SMILES
COc1ccc(-c2ccc(O)c(/C=N/O)c2)cc1
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InChI
InChI=1S/C14H13NO3/c1-18-13-5-2-10(3-6-13)11-4-7-14(16)12(8-11)9-15-17/h2-9,16-17H,1H3/b15-9+
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InChIKey
VKFBQDWUIAMZAJ-OQLLNIDSSA-N
Physicochemical Property
logP
2.8759
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
62.05
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 135931725
SID: 57415483
ChEMBL ID
CHEMBL480612
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 = 23400 nM
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