General Information of the Compound
Compound ID
CP0404135
Compound Name
(1S,2S,4S,5R,6S)-2-amino-4-azidobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
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Structure
Formula
C8H10N4O4
Molecular Weight
226.192
Canonical SMILES
N[C@]1(C[C@H](N=[N+]=[N-])[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
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InChI
InChI=1S/C8H10N4O4/c9-8(7(15)16)1-2(11-12-10)3-4(5(3)8)6(13)14/h2-5H,1,9H2,(H,13,14)(H,15,16)/t2-,3-,4-,5-,8-/m0/s1
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InChIKey
OBUIZKQQNAWVEW-FJNNMDBYSA-N
Physicochemical Property
logP
-0.2021
Rotatable Bonds
3
Heavy Atom Count
16
Polar Areas
149.38
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
16

"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: 71681825
ChEMBL ID
CHEMBL2381645
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: PT01748, Metabotropic glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000125 MCB3901 Mesocricetus auratus (Golden hamster)  1
1
EC50 = 12.2 nM
   TI
   LI
   LO
   TS
Protein ID: PT01312, Metabotropic glutamate receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000125 MCB3901 Mesocricetus auratus (Golden hamster)  1
1
EC50 = 23.5 nM
   TI
   LI
   LO
   TS
Protein ID: PT02744, Metabotropic glutamate receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000125 MCB3901 Mesocricetus auratus (Golden hamster)  1
1
IC50 = 1890 nM
   TI
   LI
   LO
   TS
Protein ID: PT02739, Metabotropic glutamate receptor 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000125 MCB3901 Mesocricetus auratus (Golden hamster)  1
1
EC50 = 12000 nM
   TI
   LI
   LO
   TS