General Information of the Compound
| Compound ID |
CP0498630
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
propan-2-yl 4-[[6-[4-(furan-2-carbonyl)piperazin-1-yl]pyridin-3-yl]oxymethyl]piperidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H32N4O5
|
||||||||||||||||||
| Molecular Weight |
456.543
|
||||||||||||||||||
| Canonical SMILES |
CC(C)OC(=O)N1CCC(COc2ccc(nc2)N2CCN(CC2)C(=O)c2ccco2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H32N4O5/c1-18(2)33-24(30)28-9-7-19(8-10-28)17-32-20-5-6-22(25-16-20)26-11-13-27(14-12-26)23(29)21-4-3-15-31-21/h3-6,15-16,18-19H,7-14,17H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FJNRWWDXXUTTCY-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