General Information of the Compound
| Compound ID |
CP0467472
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-(4-Bromo-1-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-(4-trifluoromethoxyphenyl)ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18BrF3N4O3
|
||||||||||||||||||
| Molecular Weight |
475.265
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc(Br)c(n1)C(=O)N1CCN(CC(=O)c2ccc(OC(F)(F)F)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18BrF3N4O3/c1-24-10-14(19)16(23-24)17(28)26-8-6-25(7-9-26)11-15(27)12-2-4-13(5-3-12)29-18(20,21)22/h2-5,10H,6-9,11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RVWHJEXFBMRDTL-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C