General Information of the Compound
Compound ID
CP0470553
Compound Name
2,4-dimethyl-10-(4-piperidin-1-ylbutyl)acridin-9-one
    Show/Hide
Structure
Formula
C24H30N2O
Molecular Weight
362.517
Canonical SMILES
Cc1cc(C)c2n(CCCCN3CCCCC3)c3ccccc3c(=O)c2c1
    Show/Hide
InChI
InChI=1S/C24H30N2O/c1-18-16-19(2)23-21(17-18)24(27)20-10-4-5-11-22(20)26(23)15-9-8-14-25-12-6-3-7-13-25/h4-5,10-11,16-17H,3,6-9,12-15H2,1-2H3
    Show/Hide
InChIKey
LWZGTJKFXCZQDM-UHFFFAOYSA-N
Physicochemical Property
logP
5.03764
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
25.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
27

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 137633964
ChEMBL ID
CHEMBL4066830
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 = 5 nM
   TI
   LI
   LO
   TS