General Information of the Compound
| Compound ID |
CP0522691
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-(2-hydroxy-3-(4-o-tolylpiperazin-1-yl)propoxy)-5-methoxyphenyl)ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H30N2O4
|
||||||||||||||||||
| Molecular Weight |
398.503
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(OCC(O)CN2CCN(CC2)c2ccccc2C)c(c1)C(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H30N2O4/c1-17-6-4-5-7-22(17)25-12-10-24(11-13-25)15-19(27)16-29-23-9-8-20(28-3)14-21(23)18(2)26/h4-9,14,19,27H,10-13,15-16H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CAQSWUZBWKAERC-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