General Information of the Compound
| Compound ID |
CP0467838
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-aminobutyl)-3-(1H-indol-3-yl)-N-[(E)-3-phenylprop-2-enyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H29N3O
|
||||||||||||||||||
| Molecular Weight |
375.516
|
||||||||||||||||||
| Canonical SMILES |
NCCCCN(C\C=C\c1ccccc1)C(=O)CCc1c[nH]c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H29N3O/c25-16-6-7-17-27(18-8-11-20-9-2-1-3-10-20)24(28)15-14-21-19-26-23-13-5-4-12-22(21)23/h1-5,8-13,19,26H,6-7,14-18,25H2/b11-8+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VJKUKLYBJRRMDZ-DHZHZOJOSA-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