General Information of the Compound
Compound ID
CP0440059
Compound Name
3-Dimethylamino-N-[7-(3-dimethylamino-propionylamino)-9-oxo-9,10-dihydro-acridin-2-yl]-propionamide
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Structure
Formula
C23H29N5O3
Molecular Weight
423.517
Canonical SMILES
CN(C)CCC(=O)Nc1ccc2nc3ccc(NC(=O)CCN(C)C)cc3c(O)c2c1
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InChI
InChI=1S/C23H29N5O3/c1-27(2)11-9-21(29)24-15-5-7-19-17(13-15)23(31)18-14-16(6-8-20(18)26-19)25-22(30)10-12-28(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,24,29)(H,25,30)(H,26,31)
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InChIKey
XJMSONLFELMGED-UHFFFAOYSA-N
Physicochemical Property
logP
2.874
Rotatable Bonds
8
Heavy Atom Count
31
Polar Areas
97.8
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
31

"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: 21074076
ChEMBL ID
CHEMBL186971
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: PT01466, Telomerase reverse transcriptase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000072 A2780 Homo sapiens (Human)  1
1
IC50 = 600 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 600 nM