General Information of the Compound
Compound ID
CP0560239
Compound Name
4-[(2,4-dichlorophenyl)methyl]-3-ethyl-1-[(5-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]imidazol-2-one
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Structure
Formula
C19H16Cl2FN5O
Molecular Weight
420.275
Canonical SMILES
CCn1c(Cc2ccc(Cl)cc2Cl)cn(Cc2nc3nc(F)ccc3[nH]2)c1=O
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InChI
InChI=1S/C19H16Cl2FN5O/c1-2-27-13(7-11-3-4-12(20)8-14(11)21)9-26(19(27)28)10-17-23-15-5-6-16(22)24-18(15)25-17/h3-6,8-9H,2,7,10H2,1H3,(H,23,24,25)
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InChIKey
AFRMBFZCPSRTME-UHFFFAOYSA-N
Physicochemical Property
logP
4.026
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
68.5
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 137368909
ChEMBL ID
CHEMBL4781504
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 = 290 nM
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