General Information of the Compound
| Compound ID |
CP0381773
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Ac-c[Cys-His-D-Phe-Cys]-N-alpha-guanidinylbutyl-Trp-NH2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C39H50N12O6S2
|
||||||||||||||||||
| Molecular Weight |
847.041
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(=O)N(CCCCN=C(N)N)[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C39H50N12O6S2/c1-23(52)47-31-20-58-59-21-32(38(57)51(14-8-7-13-44-39(41)42)33(34(40)53)16-25-18-45-28-12-6-5-11-27(25)28)50-35(54)29(15-24-9-3-2-4-10-24)48-36(55)30(49-37(31)56)17-26-19-43-22-46-26/h2-6,9-12,18-19,22,29-33,45H,7-8,13-17,20-21H2,1H3,(H2,40,53)(H,43,46)(H,47,52)(H,48,55)(H,49,56)(H,50,54)(H4,41,42,44)/t29-,30+,31+,32+,33+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZAKACLKQLDVSMU-UZYORVLWSA-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: PT01325, Melanocortin receptor 3
Protein ID: PT00914, Melanocortin receptor 4
Protein ID: PT00911, Melanocyte-stimulating hormone receptor