General Information of the Compound
Compound ID
CP0372300
Compound Name
2-N-(2,6-dichlorophenyl)-4-N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole-2,4-diamine
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Structure
Formula
C20H12Cl2F3N3S
Molecular Weight
454.304
Canonical SMILES
FC(F)(F)c1ccc(Nc2cccc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1
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InChI
InChI=1S/C20H12Cl2F3N3S/c21-13-3-1-4-14(22)17(13)27-19-28-18-15(5-2-6-16(18)29-19)26-12-9-7-11(8-10-12)20(23,24)25/h1-10,26H,(H,27,28)
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InChIKey
DRSOXCMNFQYUTQ-UHFFFAOYSA-N
Physicochemical Property
logP
8.1091
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
36.95
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 44569568
ChEMBL ID
CHEMBL468259
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 > 5000 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