General Information of the Compound
Compound ID
CP0535518
Compound Name
4,5-Dihydroxy-10-oxo-9,10-dihydro-anthracene-2-carboxylic acid
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Structure
Formula
C15H10O5
Molecular Weight
270.24
Canonical SMILES
OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3Cc2c1
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InChI
InChI=1S/C15H10O5/c16-10-3-1-2-7-4-8-5-9(15(19)20)6-11(17)13(8)14(18)12(7)10/h1-3,5-6,16-17H,4H2,(H,19,20)
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InChIKey
OZFQHULMMDWMIV-UHFFFAOYSA-N
CAS
480-09-1
Physicochemical Property
logP
1.9312
Rotatable Bonds
1
Heavy Atom Count
20
Polar Areas
94.83
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
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: 119396
SID: 15021371
ChEMBL ID
CHEMBL421615
DrugBank ID
DB13175
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 = 3000 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000150 HaCaT Homo sapiens (Human)  1
1
IC50 > 5000 nM
   TI
   LI
   LO
   TS