General Information of the Compound
| Compound ID |
CP0452174
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4R)-N-[(1S,3S)-3-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H31F3N2O2
|
||||||||||||||||||
| Molecular Weight |
412.496
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)CN(CC[C@H]1C(=O)N[C@H]1CCC[C@H](CO)C1)c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H31F3N2O2/c1-21(2)14-27(18-8-6-16(7-9-18)22(23,24)25)11-10-19(21)20(29)26-17-5-3-4-15(12-17)13-28/h6-9,15,17,19,28H,3-5,10-14H2,1-2H3,(H,26,29)/t15-,17-,19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
APFUSSJGZAJSNI-IEZWGBDMSA-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