General Information of the Compound
Compound ID
CP0709427
Compound Name
N-Acetylglycylglycine
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Structure
Formula
C6H10N2O4
Molecular Weight
174.156
Canonical SMILES
CC(=O)NCC(=O)NCC(=O)O
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InChI
InChI=1S/C6H10N2O4/c1-4(9)7-2-5(10)8-3-6(11)12/h2-3H2,1H3,(H,7,9)(H,8,10)(H,11,12)
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InChIKey
ZCASHLUDUSAKNN-UHFFFAOYSA-N
CAS
5687-48-9
Physicochemical Property
logP
-1.6767
Rotatable Bonds
4
Heavy Atom Count
12
Polar Areas
95.5
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
12

"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: 97591
SID: 16081483
ChEMBL ID
CHEMBL174085
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: PT02659, Peptidyl-glycine alpha-amidating monooxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000506 DMS 53 Homo sapiens (Human)  1
1
Km = 1600000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Km = 1200000 nM