General Information of the Compound
Compound ID
CP0446122
Compound Name
9-chloroacridine
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Structure
Formula
C13H8ClN
Molecular Weight
213.667
Canonical SMILES
Clc1c2ccccc2nc2ccccc12
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InChI
InChI=1S/C13H8ClN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
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InChIKey
BPXINCHFOLVVSG-UHFFFAOYSA-N
CAS
1207-69-8
Physicochemical Property
logP
4.0414
Rotatable Bonds
0
Heavy Atom Count
15
Polar Areas
12.89
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
15

"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: 71013
SID: 15213419
ChEMBL ID
CHEMBL2180144
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: PT02908, P2X purinoceptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1 Homo sapiens (Human)  1
1
IC50 > 10000 nM
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