General Information of the Compound
Compound ID
CP0969409
Compound Name
(6-((1H-Indol-6-yl)oxy)pyrimidin-4-yl)methanamine
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Structure
Formula
C13H12N4O
Molecular Weight
240.266
Canonical SMILES
NCc1cc(Oc2ccc3cc[nH]c3c2)ncn1
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InChI
InChI=1S/C13H12N4O/c14-7-10-5-13(17-8-16-10)18-11-2-1-9-3-4-15-12(9)6-11/h1-6,8,15H,7,14H2
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InChIKey
BRHQSJMMEIOBJH-UHFFFAOYSA-N
Physicochemical Property
logP
2.2089
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
76.82
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 124174994
ChEMBL ID
CHEMBL4537516
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 < 100 nM
   TI
   LI
   LO
   TS