General Information of the Compound
Compound ID
CP0460492
Compound Name
2,4-dimethyl-10-(3-piperidin-1-ylpropyl)acridin-9-one
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Structure
Formula
C23H28N2O
Molecular Weight
348.49
Canonical SMILES
Cc1cc(C)c2n(CCCN3CCCCC3)c3ccccc3c(=O)c2c1
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InChI
InChI=1S/C23H28N2O/c1-17-15-18(2)22-20(16-17)23(26)19-9-4-5-10-21(19)25(22)14-8-13-24-11-6-3-7-12-24/h4-5,9-10,15-16H,3,6-8,11-14H2,1-2H3
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InChIKey
PNTMVOCDOXQCIL-UHFFFAOYSA-N
Physicochemical Property
logP
4.64754
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
25.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 137655666
ChEMBL ID
CHEMBL4094253
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: PT01546, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000349 NCI-ADR-RES Homo sapiens (Human)  1
1
IC50 = 17 nM
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