General Information of the Compound
Compound ID
CP0393843
Compound Name
N-hydroxy-2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetamide
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Structure
Formula
C16H13NO4
Molecular Weight
283.283
Canonical SMILES
ONC(=O)Cc1ccc2OCc3ccccc3C(=O)c2c1
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InChI
InChI=1S/C16H13NO4/c18-15(17-20)8-10-5-6-14-13(7-10)16(19)12-4-2-1-3-11(12)9-21-14/h1-7,20H,8-9H2,(H,17,18)
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InChIKey
NXFKXNLVJZHGQT-UHFFFAOYSA-N
Physicochemical Property
logP
1.8579
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
75.63
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 10564901
SID: 15592646
ChEMBL ID
CHEMBL310794
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 = 9000 nM
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