General Information of the Compound
Compound ID
CP0410448
Compound Name
N-hydroxy-2,6-dimethoxy-N-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]benzamide
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Structure
Formula
C25H23NO5
Molecular Weight
417.461
Canonical SMILES
COc1cccc(OC)c1C(=O)N(O)C(C)c1ccc2oc(cc2c1)-c1ccccc1
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InChI
InChI=1S/C25H23NO5/c1-16(26(28)25(27)24-21(29-2)10-7-11-22(24)30-3)18-12-13-20-19(14-18)15-23(31-20)17-8-5-4-6-9-17/h4-16,28H,1-3H3
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InChIKey
SYPMGYPRTABEBO-UHFFFAOYSA-N
Physicochemical Property
logP
5.7096
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
72.14
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
31

"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: 10477060
SID: 15500857
ChEMBL ID
CHEMBL120107
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 3000 nM
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