General Information of the Compound
| Compound ID |
CP0502428
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Ac-Phe-[Orn-Pro-cha-Trp-Ile]
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C47H64N8O7
|
||||||||||||||||||
| Molecular Weight |
853.078
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C47H64N8O7/c1-4-29(2)41-46(61)48-23-13-21-36(51-42(57)37(50-30(3)56)25-31-15-7-5-8-16-31)47(62)55-24-14-22-40(55)45(60)53-38(26-32-17-9-6-10-18-32)43(58)52-39(44(59)54-41)27-33-28-49-35-20-12-11-19-34(33)35/h5,7-8,11-12,15-16,19-20,28-29,32,36-41,49H,4,6,9-10,13-14,17-18,21-27H2,1-3H3,(H,48,61)(H,50,56)(H,51,57)(H,52,58)(H,53,60)(H,54,59)/t29-,36-,37-,38+,39-,40-,41-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OJYTVPJQLZMGSN-MGSBGFIHSA-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