General Information of the Compound
| Compound ID |
CP0440514
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-(((2S,3R)-2-(3-(4-hydroxybenzyl)-5-aminobenzamido)-3-methylpentanamido)methyl)phenyl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H33N3O5
|
||||||||||||||||||
| Molecular Weight |
503.599
|
||||||||||||||||||
| Canonical SMILES |
CC[C@@H](C)[C@H](NC(=O)c1cc(N)cc(Cc2ccc(O)cc2)c1)C(=O)NCc1ccccc1CC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H33N3O5/c1-3-18(2)27(29(37)31-17-22-7-5-4-6-21(22)16-26(34)35)32-28(36)23-13-20(14-24(30)15-23)12-19-8-10-25(33)11-9-19/h4-11,13-15,18,27,33H,3,12,16-17,30H2,1-2H3,(H,31,37)(H,32,36)(H,34,35)/t18-,27+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ICAOSNPQNLVFDW-CLYVBNDRSA-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: PT01820, Aminopeptidase N
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase