General Information of the Compound
Compound ID
CP0422860
Compound Name
2-(5,6-dimethoxy-1-methyl-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine
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Structure
Formula
C18H17N3O2
Molecular Weight
307.353
Canonical SMILES
COc1cc2c(cn(C)c2cc1OC)-c1cc2cccnc2[nH]1
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InChI
InChI=1S/C18H17N3O2/c1-21-10-13(14-7-11-5-4-6-19-18(11)20-14)12-8-16(22-2)17(23-3)9-15(12)21/h4-10H,1-3H3,(H,19,20)
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InChIKey
GZRCWJUTTURNJO-UHFFFAOYSA-N
Physicochemical Property
logP
3.7388
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
52.07
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 22477349
ChEMBL ID
CHEMBL1762148
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: PT01104, Insulin-like growth factor 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  4
1
IC50 = 33 nM
   TI
   LI
   LO
   TS
2
IC50 = 34 nM
   TI
   LI
   LO
   TS
3
IC50 = 35 nM
   TI
   LI
   LO
   TS
4
IC50 = 55 nM
   TI
   LI
   LO
   TS
CL000083 MCF-7 Homo sapiens (Human)  2
1
IC50 = 145 nM
   TI
   LI
   LO
   TS
2
IC50 = 180 nM
   TI
   LI
   LO
   TS