General Information of the Compound
Compound ID
CP0558624
Compound Name
4-[[[(3S)-3-amino-3-carboxypropyl]-hydroxyphosphoryl]-hydroxymethyl]furan-2-carboxylic acid
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Structure
Formula
C10H14NO8P
Molecular Weight
307.195
Canonical SMILES
N[C@@H](CCP(O)(=O)C(O)c1coc(c1)C(O)=O)C(O)=O
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InChI
InChI=1S/C10H14NO8P/c11-6(8(12)13)1-2-20(17,18)10(16)5-3-7(9(14)15)19-4-5/h3-4,6,10,16H,1-2,11H2,(H,12,13)(H,14,15)(H,17,18)/t6-,10?/m0/s1
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InChIKey
BIAILNXDSFKQIR-UOQJWNSWSA-N
Physicochemical Property
logP
0.0411
Rotatable Bonds
7
Heavy Atom Count
20
Polar Areas
171.29
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
6
Complexity
20

"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: 137649749
ChEMBL ID
CHEMBL4076894
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: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 2000 nM
   TI
   LI
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   TS
Protein ID: PT02739, Metabotropic glutamate receptor 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 9200 nM
   TI
   LI
   LO
   TS