General Information of the Compound
| Compound ID |
CP0464538
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-(5-aminopentyl)-N-((E)-2-chloro-3-phenylallyl)-3-(1H-indol-3-yl)acrylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28ClN3O
|
||||||||||||||||||
| Molecular Weight |
421.972
|
||||||||||||||||||
| Canonical SMILES |
NCCCCCN(C\C(Cl)=C/c1ccccc1)C(=O)\C=C\c1c[nH]c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28ClN3O/c26-22(17-20-9-3-1-4-10-20)19-29(16-8-2-7-15-27)25(30)14-13-21-18-28-24-12-6-5-11-23(21)24/h1,3-6,9-14,17-18,28H,2,7-8,15-16,19,27H2/b14-13+,22-17+
Show/Hide
|
||||||||||||||||||
| InChIKey |
MQQRWOBGOLHEJR-LWEGYUNWSA-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: PT01804, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor