General Information of the Compound
| Compound ID |
CP0534738
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(2S)-3-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-oxopropyl]-[(1R)-1-amino-3-phenylpropyl]phosphinic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H34ClN4O5P
|
||||||||||||||||||
| Molecular Weight |
609.063
|
||||||||||||||||||
| Canonical SMILES |
N[C@@H](CCc1ccccc1)P(O)(=O)C[C@@H](Cc1cc(no1)-c1cccc(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H34ClN4O5P/c32-25-13-7-12-23(17-25)27-19-26(41-36-27)18-24(20-42(39,40)29(33)15-14-21-8-3-1-4-9-21)31(38)35-28(30(34)37)16-22-10-5-2-6-11-22/h1-13,17,19,24,28-29H,14-16,18,20,33H2,(H2,34,37)(H,35,38)(H,39,40)/t24-,28+,29-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IEYYHWFOJFXPGP-OFQAEJFBSA-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