General Information of the Compound
| Compound ID |
CP0558511
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-cyclopropyl-N-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H30N4O4S
|
||||||||||||||||||
| Molecular Weight |
458.584
|
||||||||||||||||||
| Canonical SMILES |
O=C(NC1CCN(CC1)S(=O)(=O)c1ccc(CN2CCCC2)cc1)c1cc(on1)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H30N4O4S/c28-23(21-15-22(31-25-21)18-5-6-18)24-19-9-13-27(14-10-19)32(29,30)20-7-3-17(4-8-20)16-26-11-1-2-12-26/h3-4,7-8,15,18-19H,1-2,5-6,9-14,16H2,(H,24,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YGTFRQFCQKCBAW-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