General Information of the Compound
| Compound ID |
CP0387743
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-(furan-2-yl)benzoyl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24N2O3S
|
||||||||||||||||||
| Molecular Weight |
420.534
|
||||||||||||||||||
| Canonical SMILES |
CSc1cccc(NC(=O)C2CCCN(C2)C(=O)c2cccc(c2)-c2ccco2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24N2O3S/c1-30-21-10-3-9-20(15-21)25-23(27)19-8-4-12-26(16-19)24(28)18-7-2-6-17(14-18)22-11-5-13-29-22/h2-3,5-7,9-11,13-15,19H,4,8,12,16H2,1H3,(H,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RXBYKHNWMUIGEP-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