General Information of the Compound
Compound ID
CP0507435
Compound Name
anthracene
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Structure
Formula
C14H10
Molecular Weight
178.234
Canonical SMILES
c1ccc2cc3ccccc3cc2c1
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InChI
InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
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InChIKey
MWPLVEDNUUSJAV-UHFFFAOYSA-N
CAS
120-12-7
Physicochemical Property
logP
3.993
Rotatable Bonds
0
Heavy Atom Count
14
Polar Areas
0
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Complexity
14

"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: 8418
SID: 15219636
ChEMBL ID
CHEMBL333179
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 > 30000 nM
   TI
   LI
   LO
   TS