General Information of the Compound
Compound ID
CP0548691
Compound Name
3-(4-morpholin-4-ylpiperidin-1-yl)-5,6-dihydroindolo[2,3-b]quinolin-11-one
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Formula
C24H26N4O2
Molecular Weight
402.498
Canonical SMILES
O=c1c2c([nH]c3ccccc23)[nH]c2cc(ccc12)N1CCC(CC1)N1CCOCC1
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InChI
InChI=1S/C24H26N4O2/c29-23-19-6-5-17(27-9-7-16(8-10-27)28-11-13-30-14-12-28)15-21(19)26-24-22(23)18-3-1-2-4-20(18)25-24/h1-6,15-16H,7-14H2,(H2,25,26,29)
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InChIKey
FYJKQPSUAIDBAN-UHFFFAOYSA-N
Physicochemical Property
logP
3.4636
Rotatable Bonds
2
Heavy Atom Count
30
Polar Areas
64.36
Hydrogen Bond Donor Count
2
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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ChEMBL ID
CHEMBL4757803
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)  1
1
IC50 > 50000 nM
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