General Information of the Compound
Compound ID
CP0505396
Compound Name
1-methoxy-3-(trifluoromethyl)-10H-acridin-9-one
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Structure
Formula
C15H10F3NO2
Molecular Weight
293.244
Canonical SMILES
COc1cc(cc2[nH]c3ccccc3c(=O)c12)C(F)(F)F
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InChI
InChI=1S/C15H10F3NO2/c1-21-12-7-8(15(16,17)18)6-11-13(12)14(20)9-4-2-3-5-10(9)19-11/h2-7H,1H3,(H,19,20)
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InChIKey
NDERVWDPVVBTJK-UHFFFAOYSA-N
Physicochemical Property
logP
3.7087
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
42.09
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 44428701
ChEMBL ID
CHEMBL242513
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 = 770 nM
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