General Information of the Compound
| Compound ID |
CP0427509
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,5S)-5-[[(2E)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H19Cl2N3O3
|
||||||||||||||||||
| Molecular Weight |
396.274
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)[C@H]1CNC[C@@H](CN\N=C\c2ccc(o2)-c2ccc(Cl)cc2Cl)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19Cl2N3O3/c19-13-1-3-15(16(20)6-13)17-4-2-14(26-17)10-23-22-8-11-5-12(18(24)25)9-21-7-11/h1-4,6,10-12,21-22H,5,7-9H2,(H,24,25)/b23-10+/t11-,12+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BRWRMOSLKYGVBI-QVJAEPELSA-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