General Information of the Compound
| Compound ID |
CP0493851
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(6'-fluorospiro[cyclopentane-3,10'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene]-1-yl)-3,6-dihydro-2H-pyridine-5-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26FNO2
|
||||||||||||||||||
| Molecular Weight |
391.486
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C1=CCCN(C1)C1CCC2(C1)Cc1cc(F)ccc1Cc1ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26FNO2/c26-21-8-7-17-12-18-4-1-2-6-23(18)25(14-20(17)13-21)10-9-22(15-25)27-11-3-5-19(16-27)24(28)29/h1-2,4-8,13,22H,3,9-12,14-16H2,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PXJLHYOGLFJGQN-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