General Information of the Compound
| Compound ID |
CP0423109
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{4-[2-Amino-3-(4-fluoro-phenyl)-propionyl]-3-isopropyl-2-oxopiperazin-1-yl}-N-methyl-3-naphthalen-2-yl-propionamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H35FN4O3
|
||||||||||||||||||
| Molecular Weight |
518.633
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCN([C@@H](C(C)C)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H35FN4O3/c1-19(2)27-30(38)34(14-15-35(27)29(37)25(32)17-20-9-12-24(31)13-10-20)26(28(36)33-3)18-21-8-11-22-6-4-5-7-23(22)16-21/h4-13,16,19,25-27H,14-15,17-18,32H2,1-3H3,(H,33,36)/t25-,26+,27+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SUZIFVSOOKUPKE-PVHODMMVSA-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