General Information of the Compound
Compound ID
CP0388331
Compound Name
2-N-(2,6-dichlorophenyl)-7-N-methyl-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
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Structure
Formula
C19H12Cl2F3N5S
Molecular Weight
470.307
Canonical SMILES
CN(c1ccc(cc1)C(F)(F)F)c1ncnc2sc(Nc3c(Cl)cccc3Cl)nc12
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InChI
InChI=1S/C19H12Cl2F3N5S/c1-29(11-7-5-10(6-8-11)19(22,23)24)16-15-17(26-9-25-16)30-18(28-15)27-14-12(20)3-2-4-13(14)21/h2-9H,1H3,(H,27,28)
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InChIKey
QDCWINABJHVJQB-UHFFFAOYSA-N
Physicochemical Property
logP
6.9234
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
53.94
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
30

"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: 44569741
ChEMBL ID
CHEMBL466826
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 > 1000 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