General Information of the Compound
Compound ID
CP0476059
Compound Name
2-Amino-N-(3'-chloro-4'-fluoro-6-methyl-biphenyl-3-yl)-succinamic acid
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Structure
Formula
C17H16ClFN2O3
Molecular Weight
350.777
Canonical SMILES
Cc1ccc(NC(=O)CC(N)C(O)=O)cc1-c1ccc(F)c(Cl)c1
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InChI
InChI=1S/C17H16ClFN2O3/c1-9-2-4-11(21-16(22)8-15(20)17(23)24)7-12(9)10-3-5-14(19)13(18)6-10/h2-7,15H,8,20H2,1H3,(H,21,22)(H,23,24)
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InChIKey
JNRKFKITCDCURS-UHFFFAOYSA-N
Physicochemical Property
logP
3.19502
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
92.42
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 44404590
ChEMBL ID
CHEMBL373283
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: PT04012, Excitatory amino acid transporter 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 3000 nM
   TI
   LI
   LO
   TS
Protein ID: PT03541, Excitatory amino acid transporter 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 500 nM
   TI
   LI
   LO
   TS
Protein ID: PT03879, Excitatory amino acid transporter 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1000 nM
   TI
   LI
   LO
   TS