General Information of the Compound
| Compound ID |
CP0918351
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl 4-[(2R)-3-(2-benzoylphenoxy)-2-hydroxypropyl]piperazine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H32N2O5
|
||||||||||||||||||
| Molecular Weight |
440.54
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)N1CCN(C[C@@H](O)COc2ccccc2C(=O)c2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32N2O5/c1-25(2,3)32-24(30)27-15-13-26(14-16-27)17-20(28)18-31-22-12-8-7-11-21(22)23(29)19-9-5-4-6-10-19/h4-12,20,28H,13-18H2,1-3H3/t20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BIVOSBPCZHKRCZ-HXUWFJFHSA-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