General Information of the Compound
| Compound ID |
CP0470585
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,5S)-5-[[(2E)-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20F3N3O3
|
||||||||||||||||||
| Molecular Weight |
395.381
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)[C@H]1CNC[C@@H](CN\N=C\c2ccc(o2)-c2cccc(c2)C(F)(F)F)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20F3N3O3/c20-19(21,22)15-3-1-2-13(7-15)17-5-4-16(28-17)11-25-24-9-12-6-14(18(26)27)10-23-8-12/h1-5,7,11-12,14,23-24H,6,8-10H2,(H,26,27)/b25-11+/t12-,14+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JAEYGNGDBKODDR-GEHVOCGJSA-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