General Information of the Compound
Compound ID
CP0474068
Compound Name
2-N-(2-methylphenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
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Structure
Formula
C19H14F3N5S
Molecular Weight
401.417
Canonical SMILES
Cc1ccccc1Nc1nc2c(Nc3ccc(cc3)C(F)(F)F)ncnc2s1
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InChI
InChI=1S/C19H14F3N5S/c1-11-4-2-3-5-14(11)26-18-27-15-16(23-10-24-17(15)28-18)25-13-8-6-12(7-9-13)19(20,21)22/h2-10H,1H3,(H,26,27)(H,23,24,25)
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InChIKey
CHESFZLGTUGORE-UHFFFAOYSA-N
Physicochemical Property
logP
5.90072
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
62.73
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 44569642
ChEMBL ID
CHEMBL465986
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 = 14 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 = 51 nM
   TI
   LI
   LO
   TS