General Information of the Compound
Compound ID
CP0874433
Compound Name
(5-(2-Methoxypyridin-3-yl)-1H-indol-2-yl)methanamine
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Structure
Formula
C15H15N3O
Molecular Weight
253.305
Canonical SMILES
COc1ncccc1-c1ccc2[nH]c(CN)cc2c1
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InChI
InChI=1S/C15H15N3O/c1-19-15-13(3-2-6-17-15)10-4-5-14-11(7-10)8-12(9-16)18-14/h2-8,18H,9,16H2,1H3
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InChIKey
FQSSNHFLZGLVDL-UHFFFAOYSA-N
Physicochemical Property
logP
2.6972
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
63.93
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 134330499
ChEMBL ID
CHEMBL4524949
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
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