General Information of the Compound
| Compound ID |
CP0408432
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[4-[4-[3-[(E)-hydroxyiminomethyl]pyrazolo[1,5-a]pyridin-5-yl]oxybutyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxin-5-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H29N5O5
|
||||||||||||||||||
| Molecular Weight |
467.526
|
||||||||||||||||||
| Canonical SMILES |
O\N=C\c1cnn2ccc(OCCCCN3CCN(CC3)c3ccc(O)c4OCCOc34)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H29N5O5/c30-22-4-3-20(23-24(22)34-14-13-33-23)28-10-8-27(9-11-28)6-1-2-12-32-19-5-7-29-21(15-19)18(16-25-29)17-26-31/h3-5,7,15-17,30-31H,1-2,6,8-14H2/b26-17+
Show/Hide
|
||||||||||||||||||
| InChIKey |
NROVFAZNNKPZNQ-YZSQISJMSA-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor