General Information of the Compound
| Compound ID |
CP0289782
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)amino)methyl)phenoxy)ethanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H28Cl2F3N3O4
|
||||||||||||||||||
| Molecular Weight |
610.46
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(OCCO)cc2)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H28Cl2F3N3O4/c1-17(2)27-20(26(36-41-27)25-21(30)5-4-6-22(25)31)16-40-24-12-11-23(28(35-24)29(32,33)34)37(3)15-18-7-9-19(10-8-18)39-14-13-38/h4-12,17,38H,13-16H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WVNNGQCGJHABLW-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