General Information of the Compound
| Compound ID |
CP0396176
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-(3,5-dichlorophenyl)-3-azaspiro[5.5]undecan-9-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H23Cl2NO2
|
||||||||||||||||||
| Molecular Weight |
356.293
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CC1CCC2(CC1)CCN(CC2)c1cc(Cl)cc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H23Cl2NO2/c19-14-10-15(20)12-16(11-14)21-7-5-18(6-8-21)3-1-13(2-4-18)9-17(22)23/h10-13H,1-9H2,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LTCCGKRFGBBEHR-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: PT02793, Free fatty acid receptor 1
Protein ID: PT03121, Free fatty acid receptor 4
Protein ID: PT04427, Free fatty acid receptor 4