General Information of the Compound
| Compound ID |
CP0449988
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 4-amino-3-[[(2S)-2-aminohexanoyl]amino]benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H21N3O3
|
||||||||||||||||||
| Molecular Weight |
279.34
|
||||||||||||||||||
| Canonical SMILES |
CCCC[C@H](N)C(=O)Nc1cc(ccc1N)C(=O)OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H21N3O3/c1-3-4-5-11(16)13(18)17-12-8-9(14(19)20-2)6-7-10(12)15/h6-8,11H,3-5,15-16H2,1-2H3,(H,17,18)/t11-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QZUDGESOEVDJPR-NSHDSACASA-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: PT04212, Endoplasmic reticulum aminopeptidase 1
Protein ID: PT01964, Endoplasmic reticulum aminopeptidase 2
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase