General Information of the Compound
| Compound ID |
CP0523799
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(1-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-ylazetidin-3-ylidene)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25NO2
|
||||||||||||||||||
| Molecular Weight |
359.469
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C=C1CN(C1)C1CCC2(C1)Cc1ccccc1Cc1ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25NO2/c26-23(27)11-17-15-25(16-17)21-9-10-24(14-21)13-20-7-2-1-5-18(20)12-19-6-3-4-8-22(19)24/h1-8,11,21H,9-10,12-16H2,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GIZCWMURBFLMON-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01206, Histamine H1 receptor