General Information of the Compound
Compound ID
CP0920930
Compound Name
(3S)-2-[(((3-Amino-3-carboxy)propyl)(hydroxy)phosphinyl)hydroxymethyl]cyclopropane-1-carboxylic Acid hydrochloride
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Structure
Formula
C9H17ClNO7P
Molecular Weight
317.662
Canonical SMILES
Cl.N[C@@H](CCP(=O)(O)C(O)C1CC1C(=O)O)C(=O)O
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InChI
InChI=1S/C9H16NO7P.ClH/c10-6(8(13)14)1-2-18(16,17)9(15)5-3-4(5)7(11)12;/h4-6,9,15H,1-3,10H2,(H,11,12)(H,13,14)(H,16,17);1H/t4?,5?,6-,9?;/m0./s1
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InChIKey
NFQNCGFOHGLAPO-KMIBNIHDSA-N
Physicochemical Property
logP
-0.4803
Rotatable Bonds
7
Heavy Atom Count
19
Polar Areas
158.15
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
5
Complexity
19

"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: 49861982
ChEMBL ID
CHEMBL1204419
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 = 18000 nM
   TI
   LI
   LO
   TS
Protein ID: PT04980, Metabotropic glutamate receptor 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 91000 nM
   TI
   LI
   LO
   TS