General Information of the Compound
| Compound ID |
CP0051606
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxazol-6-yloxy)propylamino)phenyl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23F3N2O4
|
||||||||||||||||||
| Molecular Weight |
436.43
|
||||||||||||||||||
| Canonical SMILES |
CCCc1c(OCCCNc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23F3N2O4/c1-2-4-16-18(10-9-17-20(16)31-27-21(17)22(23,24)25)30-12-3-11-26-15-7-5-14(6-8-15)13-19(28)29/h5-10,26H,2-4,11-13H2,1H3,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SUSIJEPKDLCOFC-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