General Information of the Compound
| Compound ID |
CP0423112
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-((S)-4-((R)-2-Amino-3-(4-fluorophenyl)propanoyl)-2-oxo-3-propylpiperazin-1-yl)-N-methyl-3-(naphthalen-2-yl)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H35FN4O3
|
||||||||||||||||||
| Molecular Weight |
518.633
|
||||||||||||||||||
| Canonical SMILES |
CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@H](N)Cc1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H35FN4O3/c1-3-6-26-30(38)35(16-15-34(26)29(37)25(32)18-20-10-13-24(31)14-11-20)27(28(36)33-2)19-21-9-12-22-7-4-5-8-23(22)17-21/h4-5,7-14,17,25-27H,3,6,15-16,18-19,32H2,1-2H3,(H,33,36)/t25-,26+,27+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FBIBREHNRFMLIZ-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