General Information of the Compound
| Compound ID |
CP0386863
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(NE)-N-[[6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H29N5O3
|
||||||||||||||||||
| Molecular Weight |
423.517
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(CCCCOc2ccc3c(\C=N\O)cnn3c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29N5O3/c1-30-23-7-3-2-6-22(23)27-13-11-26(12-14-27)10-4-5-15-31-20-8-9-21-19(17-25-29)16-24-28(21)18-20/h2-3,6-9,16-18,29H,4-5,10-15H2,1H3/b25-17+
Show/Hide
|
||||||||||||||||||
| InChIKey |
CAAIZYOGVIMUEU-KOEQRZSOSA-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor