General Information of the Compound
| Compound ID |
CP0210942
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
benzyl (2S)-2-[[4-amino-3-[[(2S)-2-aminohexanoyl]amino]benzoyl]amino]-3-(1H-indol-3-yl)propanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H35N5O4
|
||||||||||||||||||
| Molecular Weight |
541.652
|
||||||||||||||||||
| Canonical SMILES |
CCCC[C@H](N)C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H35N5O4/c1-2-3-12-25(33)30(38)35-27-16-21(14-15-24(27)32)29(37)36-28(31(39)40-19-20-9-5-4-6-10-20)17-22-18-34-26-13-8-7-11-23(22)26/h4-11,13-16,18,25,28,34H,2-3,12,17,19,32-33H2,1H3,(H,35,38)(H,36,37)/t25-,28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HNWIOZGMMTUVKP-LSYYVWMOSA-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