General Information of the Compound
Compound ID
CP0295095
Compound Name
N-hydroxy-N-[(4-phenylmethoxyphenyl)methyl]acetamide
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Synonyms
106328-28-3
BW-A137C
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Structure
Formula
C16H17NO3
Molecular Weight
271.316
Canonical SMILES
CC(=O)N(O)Cc1ccc(OCc2ccccc2)cc1
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InChI
InChI=1S/C16H17NO3/c1-13(18)17(19)11-14-7-9-16(10-8-14)20-12-15-5-3-2-4-6-15/h2-10,19H,11-12H2,1H3
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InChIKey
LWIAYVCOMRXMSJ-UHFFFAOYSA-N
CAS
106328-28-3
Physicochemical Property
logP
3.0033
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
49.77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 129265
SID: 14750558
ChEMBL ID
CHEMBL61608
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 = 460 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( BW-A137C )
Drug Name BW-A137C
Target(s)
Arachidonate 5-lipoxygenase (5-LOX)
Modulator