General Information of the Compound
| Compound ID |
CP0455058
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-[4-[9-(4-methoxyphenyl)fluoren-9-yl]oxybutyl]imidazol-4-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H28N2O4
|
||||||||||||||||||
| Molecular Weight |
468.553
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)C1(OCCCCn2cnc(CC(O)=O)c2)c2ccccc2-c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H28N2O4/c1-34-23-14-12-21(13-15-23)29(26-10-4-2-8-24(26)25-9-3-5-11-27(25)29)35-17-7-6-16-31-19-22(30-20-31)18-28(32)33/h2-5,8-15,19-20H,6-7,16-18H2,1H3,(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OUHDVVXKLISLQQ-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: PT04790, Sodium- and chloride-dependent betaine transporter
Protein ID: PT03705, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3