General Information of the Compound
| Compound ID |
CP0453949
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-[(3,5-ditert-butylphenyl)methoxy]-1-phenylethyl]piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H40N2O
|
||||||||||||||||||
| Molecular Weight |
408.63
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1cc(COCC(N2CCNCC2)c2ccccc2)cc(c1)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H40N2O/c1-26(2,3)23-16-21(17-24(18-23)27(4,5)6)19-30-20-25(22-10-8-7-9-11-22)29-14-12-28-13-15-29/h7-11,16-18,25,28H,12-15,19-20H2,1-6H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SKFQAUXRVOPVSQ-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