General Information of the Compound
| Compound ID |
CP0541699
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Ac-Phe-[Orn-Pro-cha-Trp-Hch]
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C51H70N8O7
|
||||||||||||||||||
| Molecular Weight |
907.17
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)[C@H](CCC2CCCCC2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C51H70N8O7/c1-33(60)54-42(29-35-17-7-3-8-18-35)47(62)56-41-23-13-27-52-46(61)40(26-25-34-15-5-2-6-16-34)55-49(64)44(31-37-32-53-39-22-12-11-21-38(37)39)57-48(63)43(30-36-19-9-4-10-20-36)58-50(65)45-24-14-28-59(45)51(41)66/h3,7-8,11-12,17-18,21-22,32,34,36,40-45,53H,2,4-6,9-10,13-16,19-20,23-31H2,1H3,(H,52,61)(H,54,60)(H,55,64)(H,56,62)(H,57,63)(H,58,65)/t40-,41-,42-,43+,44-,45-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UANWIBIMCWBUBW-CPPKSIGKSA-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