General Information of the Compound
Compound ID
CP0955932
Compound Name
2-(Aminomethyl)-7-hydroxy-4H-chromen-4-one hydrochloride
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Structure
Formula
C10H10ClNO3
Molecular Weight
227.647
Canonical SMILES
Cl.NCc1cc(=O)c2ccc(O)cc2o1
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InChI
InChI=1S/C10H9NO3.ClH/c11-5-7-4-9(13)8-2-1-6(12)3-10(8)14-7;/h1-4,12H,5,11H2;1H
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InChIKey
WNOKCOUZFRIJEK-UHFFFAOYSA-N
Physicochemical Property
logP
1.3791
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
76.46
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
15

"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: 126484631
ChEMBL ID
CHEMBL4543922
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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