General Information of the Compound
| Compound ID |
CP0423111
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-((S)-4-((R)-2-Amino-3-(4-fluorophenyl)propanoyl)-3-ethyl-2-oxopiperazin-1-yl)-N-methyl-3-(naphthalen-2-yl)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H33FN4O3
|
||||||||||||||||||
| Molecular Weight |
504.606
|
||||||||||||||||||
| Canonical SMILES |
CC[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/C29H33FN4O3/c1-3-25-29(37)34(15-14-33(25)28(36)24(31)17-19-9-12-23(30)13-10-19)26(27(35)32-2)18-20-8-11-21-6-4-5-7-22(21)16-20/h4-13,16,24-26H,3,14-15,17-18,31H2,1-2H3,(H,32,35)/t24-,25+,26+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YBCXRFXRMKTZQS-ZNZIZOMTSA-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