General Information of the Compound
Compound ID
CP0413281
Compound Name
US9422293, 232
    Show/Hide
Structure
Formula
C24H23Cl2F3N6
Molecular Weight
523.39
Canonical SMILES
FC(F)(F)c1cccnc1N1CCc2nc(nc(NCc3ccc(Cl)c(Cl)c3)c2CC1)N1CCC1
    Show/Hide
InChI
InChI=1S/C24H23Cl2F3N6/c25-18-5-4-15(13-19(18)26)14-31-21-16-6-11-34(22-17(24(27,28)29)3-1-8-30-22)12-7-20(16)32-23(33-21)35-9-2-10-35/h1,3-5,8,13H,2,6-7,9-12,14H2,(H,31,32,33)
    Show/Hide
InChIKey
FOVJSPPMAXMOPK-UHFFFAOYSA-N
Physicochemical Property
logP
5.6246
Rotatable Bonds
5
Heavy Atom Count
35
Polar Areas
57.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
35

"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: 58972680
ChEMBL ID
CHEMBL3954599
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: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 6670 nM
   TI
   LI
   LO
   TS
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 6670 nM
   TI
   LI
   LO
   TS