General Information of the Compound
Compound ID
CP0560240
Compound Name
4-[(2,4-dichlorophenyl)methyl]-1-[(5-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-propylimidazol-2-one
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Structure
Formula
C20H18Cl2FN5O
Molecular Weight
434.302
Canonical SMILES
CCCn1c(Cc2ccc(Cl)cc2Cl)cn(Cc2nc3nc(F)ccc3[nH]2)c1=O
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InChI
InChI=1S/C20H18Cl2FN5O/c1-2-7-28-14(8-12-3-4-13(21)9-15(12)22)10-27(20(28)29)11-18-24-16-5-6-17(23)25-19(16)26-18/h3-6,9-10H,2,7-8,11H2,1H3,(H,24,25,26)
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InChIKey
NOFRZBDSFGASJK-UHFFFAOYSA-N
Physicochemical Property
logP
4.4161
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
68.5
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 137368703
ChEMBL ID
CHEMBL4761163
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: PT07343, Methionine--tRNA ligase, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 195 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
CC50 > 50000 nM
   TI
   LI
   LO
   TS