General Information of the Compound
Compound ID
CP0951466
Compound Name
(5-(6-Phenoxypyridin-3-yl)-1H-indol-2-yl)methanamine
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Structure
Formula
C20H17N3O
Molecular Weight
315.376
Canonical SMILES
NCc1cc2cc(-c3ccc(Oc4ccccc4)nc3)ccc2[nH]1
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InChI
InChI=1S/C20H17N3O/c21-12-17-11-16-10-14(6-8-19(16)23-17)15-7-9-20(22-13-15)24-18-4-2-1-3-5-18/h1-11,13,23H,12,21H2
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InChIKey
REBWFSBRJUBOKG-UHFFFAOYSA-N
Physicochemical Property
logP
4.4809
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
63.93
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 134330560
ChEMBL ID
CHEMBL4567133
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: PT04868, Lysyl oxidase homolog 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 < 300 nM
   TI
   LI
   LO
   TS