General Information of the Compound
| Compound ID |
CP0164108
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Ac-Trp-D-Nle(Me)-Asp-Phe-NH2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H40N6O7
|
||||||||||||||||||
| Molecular Weight |
620.707
|
||||||||||||||||||
| Canonical SMILES |
CCCCC(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H40N6O7/c1-3-4-13-24(36-31(44)26(35-19(2)39)16-21-18-34-23-14-9-8-12-22(21)23)30(43)38-27(17-28(40)41)32(45)37-25(29(33)42)15-20-10-6-5-7-11-20/h5-12,14,18,24-27,34H,3-4,13,15-17H2,1-2H3,(H2,33,42)(H,35,39)(H,36,44)(H,37,45)(H,38,43)(H,40,41)/t24?,25-,26-,27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KPZOPIJZBRPMTK-CZEMMQRTSA-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