General Information of the Compound
| Compound ID |
CP0532133
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-[[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-2,3-dimethylphenyl]propan-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23ClF3NO2
|
||||||||||||||||||
| Molecular Weight |
437.889
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C)c(OCc2c(ccn2-c2ccc(Cl)cc2)C(F)(F)F)ccc1CCCO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23ClF3NO2/c1-15-16(2)22(10-5-17(15)4-3-13-29)30-14-21-20(23(25,26)27)11-12-28(21)19-8-6-18(24)7-9-19/h5-12,29H,3-4,13-14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WOCLRHFWJHVYMM-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