General Information of the Compound
| Compound ID |
CP0459173
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-[[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-2,3-difluorophenyl]propan-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17ClF5NO2
|
||||||||||||||||||
| Molecular Weight |
445.815
|
||||||||||||||||||
| Canonical SMILES |
OCCCc1ccc(OCc2c(ccn2-c2ccc(Cl)cc2)C(F)(F)F)c(F)c1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17ClF5NO2/c22-14-4-6-15(7-5-14)28-10-9-16(21(25,26)27)17(28)12-30-18-8-3-13(2-1-11-29)19(23)20(18)24/h3-10,29H,1-2,11-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
VAZSTPJUTGQHNF-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