General Information of the Compound
Compound ID
CP0346386
Compound Name
2-[2-[(3-bromophenyl)carbamoylamino]-4-chlorophenyl]acetic acid
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Structure
Formula
C15H12BrClN2O3
Molecular Weight
383.629
Canonical SMILES
OC(=O)Cc1ccc(Cl)cc1NC(=O)Nc1cccc(Br)c1
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InChI
InChI=1S/C15H12BrClN2O3/c16-10-2-1-3-12(7-10)18-15(22)19-13-8-11(17)5-4-9(13)6-14(20)21/h1-5,7-8H,6H2,(H,20,21)(H2,18,19,22)
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InChIKey
LBWDNZCDWOZSOL-UHFFFAOYSA-N
Physicochemical Property
logP
4.3736
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
78.43
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 9977288
SID: 14955125
ChEMBL ID
CHEMBL224688
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: PT02409, Glutamate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01414, Glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT03116, Glutamate receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06060, Glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01518, Glutamate receptor ionotropic, kainate 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 3600 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 30000 nM
Protein ID: PT02754, Glutamate receptor ionotropic, kainate 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS