General Information of the Compound
Compound ID
CP0064673
Compound Name
(2-Hydroxy-benzoylamino)-acetic acid
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Structure
Formula
C9H9NO4
Molecular Weight
195.174
Canonical SMILES
OC(=O)CNC(=O)c1ccccc1O
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InChI
InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)
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InChIKey
ONJSZLXSECQROL-UHFFFAOYSA-N
CAS
487-54-7
Physicochemical Property
logP
0.2066
Rotatable Bonds
3
Heavy Atom Count
14
Polar Areas
86.63
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
14

"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: 10253
SID: 15219914
ChEMBL ID
CHEMBL586
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: PT04064, Solute carrier family 22 member 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000422 OK Didelphis virginiana (North American opossum)  1
1
IC50 = 27000 nM
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   LI
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   TS