General Information of the Compound
Compound ID
CP0533543
Compound Name
1-(2-chloropyridin-4-yl)-3-(5-methyl-1H-imidazol-2-yl)urea
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Structure
Formula
C10H10ClN5O
Molecular Weight
251.677
Canonical SMILES
Cc1c[nH]c(NC(=O)Nc2ccnc(Cl)c2)n1
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InChI
InChI=1S/C10H10ClN5O/c1-6-5-13-9(14-6)16-10(17)15-7-2-3-12-8(11)4-7/h2-5H,1H3,(H3,12,13,14,15,16,17)
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InChIKey
VIEFLXIPUDTMST-UHFFFAOYSA-N
Physicochemical Property
logP
2.41052
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
82.7
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 145989818
ChEMBL ID
CHEMBL4291666
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 > 50000 nM
   TI
   LI
   LO
   TS