General Information of the Compound
Compound ID
CP0874555
Compound Name
3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-N-hydroxybenzamide hydrochloride
    Show/Hide
Structure
Formula
C14H13ClF3N3O3
Molecular Weight
363.723
Canonical SMILES
Cl.NCc1cc(Oc2cccc(C(=O)NO)c2)nc(C(F)(F)F)c1
    Show/Hide
InChI
InChI=1S/C14H12F3N3O3.ClH/c15-14(16,17)11-4-8(7-18)5-12(19-11)23-10-3-1-2-9(6-10)13(21)20-22;/h1-6,22H,7,18H2,(H,20,21);1H
    Show/Hide
InChIKey
SYYQPYHDWPKFFZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.8922
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
97.47
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 132253156
ChEMBL ID
CHEMBL4454115
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