General Information of the Compound
Compound ID
CP0853186
Compound Name
2-(Aminomethyl)-6-methoxy-4H-chromen-4-one hydrochloride
    Show/Hide
Structure
Formula
C11H12ClNO3
Molecular Weight
241.674
Canonical SMILES
COc1ccc2oc(CN)cc(=O)c2c1.Cl
    Show/Hide
InChI
InChI=1S/C11H11NO3.ClH/c1-14-7-2-3-11-9(4-7)10(13)5-8(6-12)15-11;/h2-5H,6,12H2,1H3;1H
    Show/Hide
InChIKey
FLKLCVHPAPHKPM-UHFFFAOYSA-N
Physicochemical Property
logP
1.6821
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
65.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
16

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 82020831
ChEMBL ID
CHEMBL4558372
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