General Information of the Compound
| Compound ID |
CP0421912
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(Z)-N-(6-aminohexyl)-N-(2-chloro-3-phenylallyl)-4-(1H-indol-3-yl)butanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H34ClN3O
|
||||||||||||||||||
| Molecular Weight |
452.042
|
||||||||||||||||||
| Canonical SMILES |
NCCCCCCN(C\C(Cl)=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H34ClN3O/c28-24(19-22-11-4-3-5-12-22)21-31(18-9-2-1-8-17-29)27(32)16-10-13-23-20-30-26-15-7-6-14-25(23)26/h3-7,11-12,14-15,19-20,30H,1-2,8-10,13,16-18,21,29H2/b24-19-
Show/Hide
|
||||||||||||||||||
| InChIKey |
WHMJNEOYWVFOBT-CLCOLTQESA-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