General Information of the Compound
| Compound ID |
CP0866632
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S,10S,13S,16S)-16-acetamido-10-benzyl-4-(4-chlorobenzyl)-13-(4-hydroxybenzyl)-3,6,9,12,15-pentaoxo-2,5,8,11,14-pentaazaoctadecan-18-oic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H41ClN6O9
|
||||||||||||||||||
| Molecular Weight |
737.21
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H41ClN6O9/c1-21(44)40-30(19-32(47)48)36(52)43-29(18-24-10-14-26(45)15-11-24)35(51)42-28(16-22-6-4-3-5-7-22)34(50)39-20-31(46)41-27(33(49)38-2)17-23-8-12-25(37)13-9-23/h3-15,27-30,45H,16-20H2,1-2H3,(H,38,49)(H,39,50)(H,40,44)(H,41,46)(H,42,51)(H,43,52)(H,47,48)/t27-,28-,29-,30-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KOXSPKLMOXWTFM-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