General Information of the Compound
Compound ID
CP0464263
Compound Name
2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
    Show/Hide
Structure
Formula
C18H12F3N5S
Molecular Weight
387.39
Canonical SMILES
FC(F)(F)c1ccc(Nc2ncnc3sc(Nc4ccccc4)nc23)cc1
    Show/Hide
InChI
InChI=1S/C18H12F3N5S/c19-18(20,21)11-6-8-13(9-7-11)24-15-14-16(23-10-22-15)27-17(26-14)25-12-4-2-1-3-5-12/h1-10H,(H,25,26)(H,22,23,24)
    Show/Hide
InChIKey
IJFLWTXIQNELOS-UHFFFAOYSA-N
Physicochemical Property
logP
5.5923
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
62.73
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 24883053
SID: 50138814
ChEMBL ID
CHEMBL511548
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: 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 = 2680 nM
   TI
   LI
   LO
   TS
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 > 5000 nM
   TI
   LI
   LO
   TS