General Information of the Compound
Compound ID
CP0635654
Compound Name
5-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)-N-(2,6-difluorobenzyl)pyridin-2-amine
    Show/Hide
Structure
Formula
C17H10F8N4
Molecular Weight
422.279
Canonical SMILES
Fc1cccc(F)c1CNc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cn1
    Show/Hide
InChI
InChI=1S/C17H10F8N4/c18-11-2-1-3-12(19)10(11)8-27-15-5-4-9(7-26-15)29-14(17(23,24)25)6-13(28-29)16(20,21)22/h1-7H,8H2,(H,26,27)
    Show/Hide
InChIKey
DWSTXONOVMIFSC-UHFFFAOYSA-N
Physicochemical Property
logP
5.1952
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
42.74
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 71473912
SID: 163441889
ChEMBL ID
CHEMBL3730751
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