General Information of the Compound
Compound ID
CP0152699
Compound Name
5-bromo-N-(4-(2-chlorobenzamido)-3-methoxyphenyl)furan-2-carboxamide
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Structure
Formula
C19H14BrClN2O4
Molecular Weight
449.688
Canonical SMILES
COc1cc(NC(=O)c2ccc(Br)o2)ccc1NC(=O)c1ccccc1Cl
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InChI
InChI=1S/C19H14BrClN2O4/c1-26-16-10-11(22-19(25)15-8-9-17(20)27-15)6-7-14(16)23-18(24)12-4-2-3-5-13(12)21/h2-10H,1H3,(H,22,25)(H,23,24)
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InChIKey
WWZKTJWODSYAGE-UHFFFAOYSA-N
Physicochemical Property
logP
5.2087
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
80.57
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 1314024
ChEMBL ID
CHEMBL1509597
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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 35481.3 nM
   TI
   LI
   LO
   TS
Protein ID: PT02446, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1440 nM
   TI
   LI
   LO
   TS