General Information of the Compound
| Compound ID |
CP0455410
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Ac-His-D-Phe-Arg-D-Nal(1')-NH2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H44N10O5
|
||||||||||||||||||
| Molecular Weight |
696.813
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H44N10O5/c1-22(47)43-31(19-26-20-40-21-42-26)35(51)46-30(17-23-9-3-2-4-10-23)34(50)44-28(15-8-16-41-36(38)39)33(49)45-29(32(37)48)18-25-13-7-12-24-11-5-6-14-27(24)25/h2-7,9-14,20-21,28-31H,8,15-19H2,1H3,(H2,37,48)(H,40,42)(H,43,47)(H,44,50)(H,45,49)(H,46,51)(H4,38,39,41)/t28-,29-,30-,31-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZOSNQMLKRGKNRN-ORYMTKCHSA-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
Protein ID: PT02450, Melanocortin receptor 3
Protein ID: PT01431, Melanocortin receptor 4
Protein ID: PT01528, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor