General Information of the Compound
Compound ID
CP0435717
Compound Name
N-(10H-indolo[3,2-b]quinolin-11-yl)-N',N'-dimethylpropane-1,3-diamine
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Structure
Formula
C20H22N4
Molecular Weight
318.424
Canonical SMILES
CN(C)CCCNc1c2[nH]c3ccccc3c2nc2ccccc12
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InChI
InChI=1S/C20H22N4/c1-24(2)13-7-12-21-18-14-8-3-5-10-16(14)22-19-15-9-4-6-11-17(15)23-20(18)19/h3-6,8-11,23H,7,12-13H2,1-2H3,(H,21,22)
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InChIKey
CTDCVGDSVHUYMA-UHFFFAOYSA-N
Physicochemical Property
logP
4.2329
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
43.95
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 10567578
SID: 15595489
ChEMBL ID
CHEMBL219728
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 = 630 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 400 nM
2 IC50 = 440 nM