General Information of the Compound
Compound ID
CP0633671
Compound Name
N-(2,6-difluorobenzyl)-5-(2-(trifluoromethyl)phenoxy)pyridin-2-amine
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Structure
Formula
C19H13F5N2O
Molecular Weight
380.316
Canonical SMILES
Fc1cccc(F)c1CNc1ccc(Oc2ccccc2C(F)(F)F)cn1
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InChI
InChI=1S/C19H13F5N2O/c20-15-5-3-6-16(21)13(15)11-26-18-9-8-12(10-25-18)27-17-7-2-1-4-14(17)19(22,23)24/h1-10H,11H2,(H,25,26)
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InChIKey
IIWONUIHDVIBFE-UHFFFAOYSA-N
Physicochemical Property
logP
5.783
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
34.15
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 71105501
ChEMBL ID
CHEMBL3730994
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