General Information of the Compound
Compound ID
CP0545710
Compound Name
4,5-Bis[2-(N,N-dimethylamino)ethylaminomethyl]acridine
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Structure
Formula
C23H33N5
Molecular Weight
379.552
Canonical SMILES
CN(C)CCNCc1cccc2cc3cccc(CNCCN(C)C)c3nc12
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InChI
InChI=1S/C23H33N5/c1-27(2)13-11-24-16-20-9-5-7-18-15-19-8-6-10-21(23(19)26-22(18)20)17-25-12-14-28(3)4/h5-10,15,24-25H,11-14,16-17H2,1-4H3
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InChIKey
BJIRXSJANCOMSK-UHFFFAOYSA-N
Physicochemical Property
logP
2.6904
Rotatable Bonds
10
Heavy Atom Count
28
Polar Areas
43.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 44244724
SID: 85265204
ChEMBL ID
CHEMBL574042
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
CL000068 A-549 Homo sapiens (Human)  1
1
IC50 = 5600 nM
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