General Information of the Compound
Compound ID |
CP0445952
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
methyl (2S)-2-[[3-amino-4-[[(2S)-2-amino-4-phenylbutanoyl]amino]benzoyl]amino]-5-(diaminomethylideneamino)pentanoate
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C24H33N7O4
|
||||||||||||||||||
Molecular Weight |
483.573
|
||||||||||||||||||
Canonical SMILES |
COC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(NC(=O)[C@@H](N)CCc2ccccc2)c(N)c1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C24H33N7O4/c1-35-23(34)20(8-5-13-29-24(27)28)31-21(32)16-10-12-19(18(26)14-16)30-22(33)17(25)11-9-15-6-3-2-4-7-15/h2-4,6-7,10,12,14,17,20H,5,8-9,11,13,25-26H2,1H3,(H,30,33)(H,31,32)(H4,27,28,29)/t17-,20-/m0/s1
Show/Hide
|
||||||||||||||||||
InChIKey |
RGOOEDGHYNFQAW-PXNSSMCTSA-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