General Information of the Compound
| Compound ID |
CP0064686
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Amino-N-[(S)-3-diazo-1-(4-iodo-benzyl)-2-oxo-propyl]-acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H13IN4O2
|
||||||||||||||||||
| Molecular Weight |
372.166
|
||||||||||||||||||
| Canonical SMILES |
NCC(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)[CH-][N+]#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H13IN4O2/c13-9-3-1-8(2-4-9)5-10(11(18)7-16-15)17-12(19)6-14/h1-4,7,10H,5-6,14H2,(H,17,19)/t10-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IVMLSILVSGOWGN-JTQLQIEISA-N
|
||||||||||||||||||
| Physicochemical Property |
"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). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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: PT01629, Cathepsin G
Protein ID: PT01850, Myeloblastin
Protein ID: PT00992, Neutrophil elastase