General Information of the Compound
Compound ID
CP0378970
Compound Name
2-N-(2,6-dichlorophenyl)-7-N-(4-methylphenyl)-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
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Structure
Formula
C18H13Cl2N5S
Molecular Weight
402.31
Canonical SMILES
Cc1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1
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InChI
InChI=1S/C18H13Cl2N5S/c1-10-5-7-11(8-6-10)23-16-15-17(22-9-21-16)26-18(25-15)24-14-12(19)3-2-4-13(14)20/h2-9H,1H3,(H,24,25)(H,21,22,23)
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InChIKey
FNPZGLDFGHMSIP-UHFFFAOYSA-N
Physicochemical Property
logP
6.18872
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
62.73
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 44569814
ChEMBL ID
CHEMBL511221
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 = 32 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 = 33 nM
   TI
   LI
   LO
   TS