General Information of the Compound
Compound ID
CP0480318
Compound Name
2-N-(2,6-dichlorophenyl)-5-N-(2-morpholin-4-ylethyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine
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Structure
Formula
C24H22Cl2F3N7OS
Molecular Weight
584.455
Canonical SMILES
FC(F)(F)c1ccc(Nc2nc(NCCN3CCOCC3)nc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1
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InChI
InChI=1S/C24H22Cl2F3N7OS/c25-16-2-1-3-17(26)18(16)32-23-33-19-20(31-15-6-4-14(5-7-15)24(27,28)29)34-22(35-21(19)38-23)30-8-9-36-10-12-37-13-11-36/h1-7H,8-13H2,(H,32,33)(H2,30,31,34,35)
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InChIKey
QMDDHVPNWRIYII-UHFFFAOYSA-N
Physicochemical Property
logP
6.6432
Rotatable Bonds
8
Heavy Atom Count
38
Polar Areas
87.23
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
9
Complexity
38

"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: 44569484
ChEMBL ID
CHEMBL459320
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 = 11 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 = 39 nM
   TI
   LI
   LO
   TS