General Information of the Compound
| Compound ID |
CP0908550
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S,7S,10S,13S)-4,10-dibenzyl-7-(2-carboxyethyl)-13-(4-hydroxybenzyl)-3,6,9,12,15-pentaoxo-2,5,8,11,14-pentaazaoctadecan-18-oic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H43N5O10
|
||||||||||||||||||
| Molecular Weight |
717.776
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H43N5O10/c1-38-34(49)28(20-23-8-4-2-5-9-23)41-35(50)27(16-18-32(45)46)40-37(52)30(21-24-10-6-3-7-11-24)42-36(51)29(39-31(44)17-19-33(47)48)22-25-12-14-26(43)15-13-25/h2-15,27-30,43H,16-22H2,1H3,(H,38,49)(H,39,44)(H,40,52)(H,41,50)(H,42,51)(H,45,46)(H,47,48)/t27-,28-,29-,30-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PBBLVLAYLPTYMI-KRCBVYEFSA-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