General Information of the Compound
| Compound ID |
CP0493409
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N,N'-bis[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]pentadecanediamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C43H62N6O2
|
||||||||||||||||||
| Molecular Weight |
695.009
|
||||||||||||||||||
| Canonical SMILES |
CN1CCC(CC1)c1c[nH]c2ccc(NC(=O)CCCCCCCCCCCCCC(=O)Nc3ccc4[nH]cc(C5CCN(C)CC5)c4c3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C43H62N6O2/c1-48-24-20-32(21-25-48)38-30-44-40-18-16-34(28-36(38)40)46-42(50)14-12-10-8-6-4-3-5-7-9-11-13-15-43(51)47-35-17-19-41-37(29-35)39(31-45-41)33-22-26-49(2)27-23-33/h16-19,28-33,44-45H,3-15,20-27H2,1-2H3,(H,46,50)(H,47,51)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WGAOUQYJBXVTHD-UHFFFAOYSA-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D