General Information of the Compound
Compound ID
CP0578601
Compound Name
6-(5-cyanoindol-1-yl)indolo[2,1-a]isoquinoline-10-carbonitrile
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Structure
Formula
C26H14N4
Molecular Weight
382.426
Canonical SMILES
N#Cc1ccc2n(ccc2c1)-c1cc2ccccc2c2cc3cc(ccc3n12)C#N
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InChI
InChI=1S/C26H14N4/c27-15-17-5-7-23-20(11-17)9-10-29(23)26-14-19-3-1-2-4-22(19)25-13-21-12-18(16-28)6-8-24(21)30(25)26/h1-14H
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InChIKey
DBCNEWYNDSFTEJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.93296
Rotatable Bonds
1
Heavy Atom Count
30
Polar Areas
56.92
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 139192784
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: PT03249, Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
Ki = 480 nM
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   LI
   LO
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