General Information of the Compound
Compound ID
CP0473883
Compound Name
2-N-(2,6-dimethylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
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Structure
Formula
C20H16F3N5S
Molecular Weight
415.444
Canonical SMILES
Cc1cccc(C)c1Nc1nc2c(Nc3ccc(cc3)C(F)(F)F)ncnc2s1
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InChI
InChI=1S/C20H16F3N5S/c1-11-4-3-5-12(2)15(11)27-19-28-16-17(24-10-25-18(16)29-19)26-14-8-6-13(7-9-14)20(21,22)23/h3-10H,1-2H3,(H,27,28)(H,24,25,26)
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InChIKey
WQLYHKJBNHINOA-UHFFFAOYSA-N
Physicochemical Property
logP
6.20914
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
62.73
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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).

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PubChem ID
CID: 24883004
SID: 50138766
ChEMBL ID
CHEMBL511589
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 = 6 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 = 23 nM
   TI
   LI
   LO
   TS