General Information of the Compound
| Compound ID |
CP0376380
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-((R)-1-((2S,4S)-2-(3-guanidinopropyl)-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl)piperidine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H44N6O3
|
||||||||||||||||||
| Molecular Weight |
584.765
|
||||||||||||||||||
| Canonical SMILES |
NC(N)=NCCC[C@H]1C[C@@H](CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCN1)OCc1ccc2ccccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H44N6O3/c35-34(36)38-18-8-13-28-21-29(43-23-25-15-16-26-11-4-5-12-27(26)19-25)22-40(28)33(42)31(20-24-9-2-1-3-10-24)39-32(41)30-14-6-7-17-37-30/h1-5,9-12,15-16,19,28-31,37H,6-8,13-14,17-18,20-23H2,(H,39,41)(H4,35,36,38)/t28-,29-,30?,31+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AIBOPTDBFGOAQA-ZELYBYEASA-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