General Information of the Compound
| Compound ID |
CP0958837
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Rac-2-(4-tert-butylphenyl)-N-(2-(4-hydroxy-4-(trifluoromethyl)piperidin-1-yl)-3-phenylpropyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H35F3N2O2
|
||||||||||||||||||
| Molecular Weight |
476.583
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(CC(=O)NCC(Cc2ccccc2)N2CCC(O)(C(F)(F)F)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H35F3N2O2/c1-25(2,3)22-11-9-21(10-12-22)18-24(33)31-19-23(17-20-7-5-4-6-8-20)32-15-13-26(34,14-16-32)27(28,29)30/h4-12,23,34H,13-19H2,1-3H3,(H,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AJNOKJPJRYBNSF-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