General Information of the Compound
Compound ID
CP0471825
Compound Name
1-(2-chloropyridin-4-yl)-3-[3-(difluoromethyl)-1,2-thiazol-5-yl]urea
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Structure
Formula
C10H7ClF2N4OS
Molecular Weight
304.709
Canonical SMILES
FC(F)c1cc(NC(=O)Nc2ccnc(Cl)c2)sn1
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InChI
InChI=1S/C10H7ClF2N4OS/c11-7-3-5(1-2-14-7)15-10(18)16-8-4-6(9(12)13)17-19-8/h1-4,9H,(H2,14,15,16,18)
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InChIKey
HJJABVPOIGJSFO-UHFFFAOYSA-N
Physicochemical Property
logP
3.7731
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
66.91
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 145978909
ChEMBL ID
CHEMBL4278436
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: PT03585, Probable global transcription activator SNF2L2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 5 nM
   TI
   LI
   LO
   TS
Protein ID: PT03301, Transcription activator BRG1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 6 nM
   TI
   LI
   LO
   TS