General Information of the Compound
| Compound ID |
CP0458941
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
propan-2-yl 4-[[6-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]pyridin-3-yl]oxymethyl]piperidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H36N4O6S
|
||||||||||||||||||
| Molecular Weight |
484.619
|
||||||||||||||||||
| Canonical SMILES |
COCCS(=O)(=O)N1CCN(CC1)c1ccc(OCC2CCN(CC2)C(=O)OC(C)C)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H36N4O6S/c1-18(2)32-22(27)25-8-6-19(7-9-25)17-31-20-4-5-21(23-16-20)24-10-12-26(13-11-24)33(28,29)15-14-30-3/h4-5,16,18-19H,6-15,17H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UKWZXIPCKWWPPT-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