General Information of the Compound
Compound ID
CP0395238
Compound Name
3-(9,10-Dioxo-9,10-dihydro-anthracen-2-yl)-N-hydroxy-N-methyl-acrylamide
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Structure
Formula
C18H13NO4
Molecular Weight
307.305
Canonical SMILES
CN(O)C(=O)\C=C\c1ccc2C(=O)c3ccccc3C(=O)c2c1
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InChI
InChI=1S/C18H13NO4/c1-19(23)16(20)9-7-11-6-8-14-15(10-11)18(22)13-5-3-2-4-12(13)17(14)21/h2-10,23H,1H3/b9-7+
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InChIKey
YJVFEZJUIQWNRX-VQHVLOKHSA-N
Physicochemical Property
logP
2.3228
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
74.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 44386892
ChEMBL ID
CHEMBL367188
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 = 160 nM
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