General Information of the Compound
| Compound ID |
CP0496271
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-benzyl-N-[[(3R)-1-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30N6O
|
||||||||||||||||||
| Molecular Weight |
442.567
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N(C[C@@H]1CCN(CCc2c[nH]c3ccc(cc23)-n2cnnc2)C1)Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30N6O/c1-20(33)31(16-21-5-3-2-4-6-21)17-22-9-11-30(15-22)12-10-23-14-27-26-8-7-24(13-25(23)26)32-18-28-29-19-32/h2-8,13-14,18-19,22,27H,9-12,15-17H2,1H3/t22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
POKWFAKJJPVMRZ-JOCHJYFZSA-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