General Information of the Compound
Compound ID
CP0571693
Compound Name
6-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]-9H-pyrido[2,3-b]indole
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Structure
Formula
C26H20N2O
Molecular Weight
376.459
Canonical SMILES
COc1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccccc4)c3c2c1
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InChI
InChI=1S/C26H20N2O/c1-29-22-12-9-19(10-13-22)21-11-14-24-23(17-21)25-20(15-16-27-26(25)28-24)8-7-18-5-3-2-4-6-18/h2-17H,1H3,(H,27,28)/b8-7+
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InChIKey
UOACLEDRUIIESO-BQYQJAHWSA-N
Physicochemical Property
logP
6.5621
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
37.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
29

"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: 135059958
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: PT01203, ALK tyrosine kinase receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 860 nM
   TI
   LI
   LO
   TS
2
IC50 = 1100 nM
   TI
   LI
   LO
   TS