General Information of the Compound
Compound ID
CP0385921
Compound Name
(1S,2S,4S,5R,6S)-4-acetamido-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
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Structure
Formula
C10H14N2O5
Molecular Weight
242.231
Canonical SMILES
CC(=O)N[C@H]1C[C@](N)([C@H]2[C@@H]1[C@@H]2C(O)=O)C(O)=O
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InChI
InChI=1S/C10H14N2O5/c1-3(13)12-4-2-10(11,9(16)17)7-5(4)6(7)8(14)15/h4-7H,2,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)/t4-,5-,6-,7-,10-/m0/s1
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InChIKey
APZIMAYYQKOWFP-ONZQZHTRSA-N
Physicochemical Property
logP
-1.3763
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
129.72
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
17

"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: 60096211
ChEMBL ID
CHEMBL2381649
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 = 257 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 257 nM
   TI
   LI
   LO
   TS
2
Ki = 898 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 = 193 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 193 nM
   TI
   LI
   LO
   TS
2
Ki = 177 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
EC50 = 709 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 = 4300 nM
   TI
   LI
   LO
   TS