General Information of the Compound
| Compound ID |
CP0505331
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30N6O2
|
||||||||||||||||||
| Molecular Weight |
482.588
|
||||||||||||||||||
| Canonical SMILES |
CN1CCc2ccccc2C1CNC(=O)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30N6O2/c1-33-15-12-19-6-2-4-8-22(19)25(33)18-29-28(35)34-16-13-21(14-17-34)27-31-26(32-36-27)24-11-10-20-7-3-5-9-23(20)30-24/h2-11,21,25H,12-18H2,1H3,(H,29,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WQRNYRYXJVKIRS-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