General Information of the Compound
| Compound ID |
CP0548036
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H32N2O3
|
||||||||||||||||||
| Molecular Weight |
336.476
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccc(C)cc1OCC(O)CN1CCN(CCO)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H32N2O3/c1-15(2)18-5-4-16(3)12-19(18)24-14-17(23)13-21-8-6-20(7-9-21)10-11-22/h4-5,12,15,17,22-23H,6-11,13-14H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RLONBLFZKXQFFX-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