General Information of the Compound
Compound ID
CP0463223
Compound Name
4,5-Dihydroxy-10-oxo-9,10-dihydro-anthracene-9-carbaldehyde
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Structure
Formula
C15H10O4
Molecular Weight
254.241
Canonical SMILES
Oc1cccc2C(C=O)c3cccc(O)c3C(=O)c12
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InChI
InChI=1S/C15H10O4/c16-7-10-8-3-1-5-11(17)13(8)15(19)14-9(10)4-2-6-12(14)18/h1-7,10,17-18H
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InChIKey
FWCOAJXDEALEDN-UHFFFAOYSA-N
Physicochemical Property
logP
1.973
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
74.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 44348812
ChEMBL ID
CHEMBL123787
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: PT00205, 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000831 PMNL Homo sapiens (Human)  1
1
IC50 = 7000 nM
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   LI
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Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000150 HaCaT Homo sapiens (Human)  1
1
IC50 = 1900 nM
   TI
   LI
   LO
   TS