General Information of the Compound
| Compound ID |
CP0486652
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-{5-[3-(7-propyl-3-trifluoromethylbenzo[d]isoxazol-6-yloxy)propoxy]-1H-indol-1-yl}propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25F3N2O5
|
||||||||||||||||||
| Molecular Weight |
490.478
|
||||||||||||||||||
| Canonical SMILES |
CCCc1c(OCCCOc2ccc3n(CCC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25F3N2O5/c1-2-4-18-21(8-6-19-23(18)35-29-24(19)25(26,27)28)34-14-3-13-33-17-5-7-20-16(15-17)9-11-30(20)12-10-22(31)32/h5-9,11,15H,2-4,10,12-14H2,1H3,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZGOFUEGMFXFQKE-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