General Information of the Compound
| Compound ID |
CP0446685
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[1-[2-[tris(4-methoxyphenyl)methoxy]ethyl]imidazol-2-yl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H32N2O6
|
||||||||||||||||||
| Molecular Weight |
516.594
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)C(OCCn1ccnc1CCC(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H32N2O6/c1-35-25-10-4-22(5-11-25)30(23-6-12-26(36-2)13-7-23,24-8-14-27(37-3)15-9-24)38-21-20-32-19-18-31-28(32)16-17-29(33)34/h4-15,18-19H,16-17,20-21H2,1-3H3,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CYTXOEVJXLPHQL-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: PT03705, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3