General Information of the Compound
Compound ID
CP0188268
Compound Name
9,10-diazaanthracene
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Structure
Formula
C12H8N2
Molecular Weight
180.21
Canonical SMILES
c1ccc2nc3ccccc3nc2c1
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InChI
InChI=1S/C12H8N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H
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InChIKey
PCNDJXKNXGMECE-UHFFFAOYSA-N
CAS
92-82-0
Physicochemical Property
logP
2.783
Rotatable Bonds
0
Heavy Atom Count
14
Polar Areas
25.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
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: 4757
SID: 15322076
ChEMBL ID
CHEMBL119870
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: PT02591, Major prion protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000235 ScN2a Mus musculus (Mouse)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS