General Information of the Compound
| Compound ID |
CP0463447
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(cyclooctylmethyl)-2-cyclopenta-1,3-dien-1-yl-7-pent-1-en-2-yl-3aH-indene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H36
|
||||||||||||||||||
| Molecular Weight |
372.596
|
||||||||||||||||||
| Canonical SMILES |
CCCC(=C)C1=CC=C(CC2CCCCCCC2)C2C=C(C=C12)C1=CC=CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H36/c1-3-11-21(2)26-17-16-24(18-22-12-7-5-4-6-8-13-22)27-19-25(20-28(26)27)23-14-9-10-15-23/h9-10,14,16-17,19-20,22,27H,2-8,11-13,15,18H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JCHIJSKPJOYLNK-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3