General Information of the Compound
Compound ID
CP0480371
Compound Name
2-Amino-N-(3-methyl-biphenyl-4-yl)-succinamic acid
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Structure
Formula
C17H18N2O3
Molecular Weight
298.342
Canonical SMILES
Cc1cc(ccc1NC(=O)CC(N)C(O)=O)-c1ccccc1
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InChI
InChI=1S/C17H18N2O3/c1-11-9-13(12-5-3-2-4-6-12)7-8-15(11)19-16(20)10-14(18)17(21)22/h2-9,14H,10,18H2,1H3,(H,19,20)(H,21,22)
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InChIKey
HJLWSVGVNAASDU-UHFFFAOYSA-N
Physicochemical Property
logP
2.40252
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
92.42
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
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: 44404580
ChEMBL ID
CHEMBL424838
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 = 300 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 = 200 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 = 600 nM
   TI
   LI
   LO
   TS