General Information of the Compound
| Compound ID |
CP0437892
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-aminopropyl)-N-[(E)-3-phenylprop-2-enyl]-1H-indole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23N3O
|
||||||||||||||||||
| Molecular Weight |
333.435
|
||||||||||||||||||
| Canonical SMILES |
NCCCN(C\C=C\c1ccccc1)C(=O)c1c[nH]c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23N3O/c22-13-7-15-24(14-6-10-17-8-2-1-3-9-17)21(25)19-16-23-20-12-5-4-11-18(19)20/h1-6,8-12,16,23H,7,13-15,22H2/b10-6+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VXCVVXJIGNFSBV-UXBLZVDNSA-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: PT00914, Melanocortin receptor 4
Protein ID: PT01804, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor