General Information of the Compound
Compound ID
CP0493622
Compound Name
1,3-dimethoxy-10H-acridin-9-one
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Structure
Formula
C15H13NO3
Molecular Weight
255.273
Canonical SMILES
COc1cc(OC)c2c(c1)[nH]c1ccccc1c2=O
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InChI
InChI=1S/C15H13NO3/c1-18-9-7-12-14(13(8-9)19-2)15(17)10-5-3-4-6-11(10)16-12/h3-8H,1-2H3,(H,16,17)
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InChIKey
BILBOTFLFDBNNB-UHFFFAOYSA-N
CAS
27221-40-5
Physicochemical Property
logP
2.6985
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
51.32
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 97696
SID: 15020519
ChEMBL ID
CHEMBL243814
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 = 7900 nM
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