General Information of the Compound
| Compound ID |
CP0476315
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,4S)-N-ethyl-4-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]-3-phenylpiperidine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28F3N3O3
|
||||||||||||||||||
| Molecular Weight |
451.489
|
||||||||||||||||||
| Canonical SMILES |
CCNC(=O)N1CC[C@H](NCc2cc(OC(F)(F)F)ccc2OC)[C@@H](C1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28F3N3O3/c1-3-27-22(30)29-12-11-20(19(15-29)16-7-5-4-6-8-16)28-14-17-13-18(32-23(24,25)26)9-10-21(17)31-2/h4-10,13,19-20,28H,3,11-12,14-15H2,1-2H3,(H,27,30)/t19-,20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HIHKWWMEJLAOLH-PMACEKPBSA-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