General Information of the Compound
Compound ID
CP0638247
Compound Name
N-(2,6-difluorobenzyl)-5-(5-fluoro-2-(trifluoromethyl)phenoxy)pyridin-2-amine
    Show/Hide
Structure
Formula
C19H12F6N2O
Molecular Weight
398.306
Canonical SMILES
Fc1ccc(C(F)(F)F)c(Oc2ccc(NCc3c(F)cccc3F)nc2)c1
    Show/Hide
InChI
InChI=1S/C19H12F6N2O/c20-11-4-6-14(19(23,24)25)17(8-11)28-12-5-7-18(26-9-12)27-10-13-15(21)2-1-3-16(13)22/h1-9H,10H2,(H,26,27)
    Show/Hide
InChIKey
NGOWIRFSYFOYRF-UHFFFAOYSA-N
Physicochemical Property
logP
5.9221
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
34.15
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 89261727
ChEMBL ID
CHEMBL3733011
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: PT06374, Calcium release-activated calcium channel protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000278 RBL-2H3 Rattus norvegicus (Rat)  1
1
IC50 < 600 nM
   TI
   LI
   LO
   TS