General Information of the Compound
| Compound ID |
CP0395514
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 3-amino-4-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H22N6O3
|
||||||||||||||||||
| Molecular Weight |
322.369
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1ccc(NC(=O)[C@@H](N)CCCNC(N)=N)c(N)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H22N6O3/c1-23-13(22)8-4-5-11(10(16)7-8)20-12(21)9(15)3-2-6-19-14(17)18/h4-5,7,9H,2-3,6,15-16H2,1H3,(H,20,21)(H4,17,18,19)/t9-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZPJSMONGVMASNL-VIFPVBQESA-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: PT01964, Endoplasmic reticulum aminopeptidase 2
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase