General Information of the Compound
| Compound ID |
CP0483511
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]methyl]phenyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H33N7O
|
||||||||||||||||||
| Molecular Weight |
471.609
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Nc1ccc(CNC2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H33N7O/c1-20(35)32-24-6-4-21(5-7-24)16-28-23-10-13-33(14-11-23)12-2-3-22-17-29-27-9-8-25(15-26(22)27)34-18-30-31-19-34/h4-9,15,17-19,23,28-29H,2-3,10-14,16H2,1H3,(H,32,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NFOHZLIXUIWTDY-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