General Information of the Compound
Compound ID
CP0386856
Compound Name
2,4-dimethyl-10-(4-morpholin-4-ylbutyl)acridin-9-one
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Structure
Formula
C23H28N2O2
Molecular Weight
364.489
Canonical SMILES
Cc1cc(C)c2n(CCCCN3CCOCC3)c3ccccc3c(=O)c2c1
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InChI
InChI=1S/C23H28N2O2/c1-17-15-18(2)22-20(16-17)23(26)19-7-3-4-8-21(19)25(22)10-6-5-9-24-11-13-27-14-12-24/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3
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InChIKey
XONLDSYHSCDNKT-UHFFFAOYSA-N
Physicochemical Property
logP
3.88394
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
34.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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).

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PubChem ID
CID: 137655428
ChEMBL ID
CHEMBL4094336
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 = 4 nM
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Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000083 MCF-7 Homo sapiens (Human)  1
1
IC50 = 20000 nM
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