General Information of the Compound
Compound ID
CP0497541
Compound Name
(1S,2S)-1-amino-2-fluoro-2-(phosphonomethyl)cyclopropane-1-carboxylic acid
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Structure
Formula
C5H9FNO5P
Molecular Weight
213.101
Canonical SMILES
N[C@@]1(C[C@@]1(F)CP(O)(O)=O)C(O)=O
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InChI
InChI=1S/C5H9FNO5P/c6-4(2-13(10,11)12)1-5(4,7)3(8)9/h1-2,7H2,(H,8,9)(H2,10,11,12)/t4-,5+/m1/s1
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InChIKey
VHMPIZVLCHCGBT-UHNVWZDZSA-N
Physicochemical Property
logP
-0.9418
Rotatable Bonds
3
Heavy Atom Count
13
Polar Areas
120.85
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
3
Complexity
13

"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: 50902542
SID: 163441322
ChEMBL ID
CHEMBL2058378
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: PT02446, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 340 nM
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