General Information of the Compound
Compound ID
CP0301394
Compound Name
3-Dimethylamino-N-[6-(3-dimethylamino-propionylamino)-acridin-3-yl]-propionamide
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Structure
Formula
C23H29N5O2
Molecular Weight
407.518
Canonical SMILES
CN(C)CCC(=O)Nc1ccc2cc3ccc(NC(=O)CCN(C)C)cc3nc2c1
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InChI
InChI=1S/C23H29N5O2/c1-27(2)11-9-22(29)24-18-7-5-16-13-17-6-8-19(15-21(17)26-20(16)14-18)25-23(30)10-12-28(3)4/h5-8,13-15H,9-12H2,1-4H3,(H,24,29)(H,25,30)
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InChIKey
DALVTFLIYKCFIO-UHFFFAOYSA-N
Physicochemical Property
logP
3.1684
Rotatable Bonds
8
Heavy Atom Count
30
Polar Areas
77.57
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 44461129
ChEMBL ID
CHEMBL311072
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 = 8200 nM
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