General Information of the Compound
| Compound ID |
CP0467897
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-1H-indol-5-yl]-4-fluorobenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H31FN4O
|
||||||||||||||||||
| Molecular Weight |
422.548
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCCN1CCC(CC1)c1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31FN4O/c1-29(2)12-3-13-30-14-10-18(11-15-30)23-17-27-24-9-8-21(16-22(23)24)28-25(31)19-4-6-20(26)7-5-19/h4-9,16-18,27H,3,10-15H2,1-2H3,(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JDVOEYXWIKKUDP-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