General Information of the Compound
Compound ID
CP0899518
Compound Name
11-(3-(dimethylamino)propylamino)-5-methyl-10H-indolo[3,2-b]quinolin-5-ium iodide
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Structure
Formula
C21H25IN4
Molecular Weight
460.363
Canonical SMILES
CN(C)CCCNc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12.[I-]
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InChI
InChI=1S/C21H24N4.HI/c1-24(2)14-8-13-22-19-16-10-5-7-12-18(16)25(3)21-15-9-4-6-11-17(15)23-20(19)21;/h4-7,9-12H,8,13-14H2,1-3H3,(H,22,23);1H
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InChIKey
YYZOYVBFICWNGM-UHFFFAOYSA-N
Physicochemical Property
logP
0.6664
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
34.94
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 25132918
SID: 56457404
ChEMBL ID
CHEMBL507633
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
CL000083 MCF-7 Homo sapiens (Human)  1
1
IC50 = 220 nM
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