General Information of the Compound
| Compound ID |
CP0503927
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-{4-{2-Amino-6-[4-(4-propyl-benzoyl)-piperazin-1-yl]-pyrimidin-4-yloxy}-phenyl}-2-methyl-2-phenoxy-propionic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H37N5O5
|
||||||||||||||||||
| Molecular Weight |
595.7
|
||||||||||||||||||
| Canonical SMILES |
CCCc1ccc(cc1)C(=O)N1CCN(CC1)c1cc(Oc2ccc(CC(C)(Oc3ccccc3)C(O)=O)cc2)nc(N)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H37N5O5/c1-3-7-24-10-14-26(15-11-24)31(40)39-20-18-38(19-21-39)29-22-30(37-33(35)36-29)43-27-16-12-25(13-17-27)23-34(2,32(41)42)44-28-8-5-4-6-9-28/h4-6,8-17,22H,3,7,18-21,23H2,1-2H3,(H,41,42)(H2,35,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DKQQDZJONQWLFF-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: PT01109, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma