General Information of the Compound
Compound ID
CP0503723
Compound Name
N-[2-(4-methoxyphenyl)ethyl]-9-oxo-10H-acridine-4-carboxamide
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Structure
Formula
C23H20N2O3
Molecular Weight
372.424
Canonical SMILES
COc1ccc(CCNC(=O)c2cccc3c2[nH]c2ccccc2c3=O)cc1
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InChI
InChI=1S/C23H20N2O3/c1-28-16-11-9-15(10-12-16)13-14-24-23(27)19-7-4-6-18-21(19)25-20-8-3-2-5-17(20)22(18)26/h2-12H,13-14H2,1H3,(H,24,27)(H,25,26)
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InChIKey
VXHBJUSZVISKBS-UHFFFAOYSA-N
Physicochemical Property
logP
3.6624
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
71.19
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 25195356
SID: 57304425
ChEMBL ID
CHEMBL397235
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: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 350 nM
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