General Information of the Compound
| Compound ID |
CP0427506
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,5S)-5-[[(2E)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23N3O3
|
||||||||||||||||||
| Molecular Weight |
353.422
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)[C@H]1CNC[C@@H](CN\N=C\c2cccc(Oc3ccccc3)c2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23N3O3/c24-20(25)17-9-16(11-21-14-17)13-23-22-12-15-5-4-8-19(10-15)26-18-6-2-1-3-7-18/h1-8,10,12,16-17,21,23H,9,11,13-14H2,(H,24,25)/b22-12+/t16-,17+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BNMAHCSESGTYQC-JDDWRULVSA-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