General Information of the Compound
| Compound ID |
CP0542896
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Ac-Phe-[Orn-Pro-cha-Trp-Thi]
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C48H60N8O7S
|
||||||||||||||||||
| Molecular Weight |
893.124
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C48H60N8O7S/c1-30(57)51-38(25-31-13-4-2-5-14-31)44(59)52-37-20-10-22-49-43(58)41(28-34-17-12-24-64-34)54-46(61)40(27-33-29-50-36-19-9-8-18-35(33)36)53-45(60)39(26-32-15-6-3-7-16-32)55-47(62)42-21-11-23-56(42)48(37)63/h2,4-5,8-9,12-14,17-19,24,29,32,37-42,50H,3,6-7,10-11,15-16,20-23,25-28H2,1H3,(H,49,58)(H,51,57)(H,52,59)(H,53,60)(H,54,61)(H,55,62)/t37-,38-,39+,40-,41-,42-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YGJKWCVMYKAYOD-LVRNBHEBSA-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