General Information of the Compound
| Compound ID |
CP0476618
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(1,3-dihydroisoindol-2-ylmethyl)-3-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24N2O
|
||||||||||||||||||
| Molecular Weight |
368.48
|
||||||||||||||||||
| Canonical SMILES |
C(C1CC2N(O1)c1ccccc1Cc1ccccc21)N1Cc2ccccc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24N2O/c1-2-10-21-16-26(15-20(21)9-1)17-22-14-25-23-11-5-3-7-18(23)13-19-8-4-6-12-24(19)27(25)28-22/h1-12,22,25H,13-17H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
XKZZKFWMYWZWDI-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