General Information of the Compound
Compound ID
CP0399933
Compound Name
2-N-(2,6-dichlorophenyl)-7-N-phenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
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Structure
Formula
C17H11Cl2N5S
Molecular Weight
388.283
Canonical SMILES
Clc1cccc(Cl)c1Nc1nc2c(Nc3ccccc3)ncnc2s1
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InChI
InChI=1S/C17H11Cl2N5S/c18-11-7-4-8-12(19)13(11)23-17-24-14-15(20-9-21-16(14)25-17)22-10-5-2-1-3-6-10/h1-9H,(H,23,24)(H,20,21,22)
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InChIKey
DTIFSMOASCVIGO-UHFFFAOYSA-N
Physicochemical Property
logP
5.8803
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
62.73
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 44569785
ChEMBL ID
CHEMBL467843
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 = 170 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 = 176 nM
   TI
   LI
   LO
   TS