General Information of the Compound
Compound ID
CP0905732
Compound Name
(5-Methoxy-1H-indol-2-yl)methanamine
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Structure
Formula
C10H12N2O
Molecular Weight
176.219
Canonical SMILES
COc1ccc2[nH]c(CN)cc2c1
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InChI
InChI=1S/C10H12N2O/c1-13-9-2-3-10-7(5-9)4-8(6-11)12-10/h2-5,12H,6,11H2,1H3
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InChIKey
UGMMLOHVKZGOJU-UHFFFAOYSA-N
CAS
130445-55-5
Physicochemical Property
logP
1.6352
Rotatable Bonds
2
Heavy Atom Count
13
Polar Areas
51.04
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
13

"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: 195658
SID: 15388985
ChEMBL ID
CHEMBL4527127
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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