General Information of the Compound
| Compound ID |
CP0532353
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[3,5-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H32F3N3O3
|
||||||||||||||||||
| Molecular Weight |
491.554
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(OCC(O)CN(C)Cc2c(C)nn(Cc3ccccc3C(F)(F)F)c2C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32F3N3O3/c1-5-34-22-10-12-23(13-11-22)35-17-21(33)15-31(4)16-24-18(2)30-32(19(24)3)14-20-8-6-7-9-25(20)26(27,28)29/h6-13,21,33H,5,14-17H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SPHSDWQWEHPJGB-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