General Information of the Compound
| Compound ID |
CP0461320
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-ylmethyl)isoindole-1,3-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H20N2O3
|
||||||||||||||||||
| Molecular Weight |
396.446
|
||||||||||||||||||
| Canonical SMILES |
O=C1N(CC2CC3N(O2)c2ccccc2Cc2ccccc32)C(=O)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H20N2O3/c28-24-20-10-4-5-11-21(20)25(29)26(24)15-18-14-23-19-9-3-1-7-16(19)13-17-8-2-6-12-22(17)27(23)30-18/h1-12,18,23H,13-15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZXIPGUHBRFTYRJ-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
Protein ID: PT01206, Histamine H1 receptor