General Information of the Compound
| Compound ID |
CP0485210
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-(4-benzoylpiperazin-1-yl)-3-methoxyphenyl]-2-methyl-2-phenylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31N3O3
|
||||||||||||||||||
| Molecular Weight |
457.574
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(NC(=O)C(C)(C)c2ccccc2)ccc1N1CCN(CC1)C(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31N3O3/c1-28(2,22-12-8-5-9-13-22)27(33)29-23-14-15-24(25(20-23)34-3)30-16-18-31(19-17-30)26(32)21-10-6-4-7-11-21/h4-15,20H,16-19H2,1-3H3,(H,29,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DYGVQJYHEKCMJV-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