General Information of the Compound
| Compound ID |
CP0511839
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-[(2S)-2-[(S)-(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-phenylpentyl]imidazol-4-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H32N2O5
|
||||||||||||||||||
| Molecular Weight |
452.551
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(cc(OC)c1C)[C@@H](O)[C@@H](CCCc1ccccc1)Cn1cnc(CC(O)=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32N2O5/c1-18-23(32-2)12-21(13-24(18)33-3)26(31)20(11-7-10-19-8-5-4-6-9-19)15-28-16-22(27-17-28)14-25(29)30/h4-6,8-9,12-13,16-17,20,26,31H,7,10-11,14-15H2,1-3H3,(H,29,30)/t20-,26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FUEJPQSVWHPMDO-FNZWTVRRSA-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