General Information of the Compound
Compound ID
CP0423602
Compound Name
10-benzyl-9-phenylacridin-9-ol
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Structure
Formula
C26H21NO
Molecular Weight
363.46
Canonical SMILES
OC1(c2ccccc2)c2ccccc2N(Cc2ccccc2)c2ccccc12
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InChI
InChI=1S/C26H21NO/c28-26(21-13-5-2-6-14-21)22-15-7-9-17-24(22)27(19-20-11-3-1-4-12-20)25-18-10-8-16-23(25)26/h1-18,28H,19H2
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InChIKey
PEMLUSSWDFVTHU-UHFFFAOYSA-N
Physicochemical Property
logP
5.6225
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
23.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
28

"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: 71459185
ChEMBL ID
CHEMBL2180149
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 = 2440 nM
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