General Information of the Compound
| Compound ID |
CP0406224
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-(5-imidazol-1-yl-1H-indol-3-yl)propyl]-N-[(1R)-1-phenylethyl]piperidin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H33N5
|
||||||||||||||||||
| Molecular Weight |
427.596
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](NC1CCN(CCCc2c[nH]c3ccc(cc23)-n2ccnc2)CC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H33N5/c1-21(22-6-3-2-4-7-22)30-24-11-15-31(16-12-24)14-5-8-23-19-29-27-10-9-25(18-26(23)27)32-17-13-28-20-32/h2-4,6-7,9-10,13,17-21,24,29-30H,5,8,11-12,14-16H2,1H3/t21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MIEAXBUEPZRDHB-OAQYLSRUSA-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