General Information of the Compound
Compound ID
CP0135474
Compound Name
6-Formylindolo[3,2-B]Carbazole
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Structure
Formula
C19H12N2O
Molecular Weight
284.318
Canonical SMILES
O=Cc1c2[nH]c3ccccc3c2cc2[nH]c3ccccc3c12
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InChI
InChI=1S/C19H12N2O/c22-10-14-18-12-6-2-4-8-16(12)20-17(18)9-13-11-5-1-3-7-15(11)21-19(13)14/h1-10,20-21H
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InChIKey
ZUDXFBWDXVNRKF-UHFFFAOYSA-N
Physicochemical Property
logP
4.7681
Rotatable Bonds
1
Heavy Atom Count
22
Polar Areas
48.65
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
22

"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: 1863
SID: 16170244
ChEMBL ID
CHEMBL472031
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: PT02265, Aryl hydrocarbon receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 9060 nM
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