General Information of the Compound
| Compound ID |
CP0405127
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
propan-2-yl 4-[2-[[2-(2,3,6-trifluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H25F3N2O3
|
||||||||||||||||||
| Molecular Weight |
386.414
|
||||||||||||||||||
| Canonical SMILES |
CC(C)OC(=O)N1CCC(CCNC(=O)Cc2c(F)ccc(F)c2F)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H25F3N2O3/c1-12(2)27-19(26)24-9-6-13(7-10-24)5-8-23-17(25)11-14-15(20)3-4-16(21)18(14)22/h3-4,12-13H,5-11H2,1-2H3,(H,23,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FKPHGZTXBXSINT-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