General Information of the Compound
| Compound ID |
CP0505332
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)piperidine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28N6O2
|
||||||||||||||||||
| Molecular Weight |
468.561
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCC1NCCc2ccccc12)N1CCC(CC1)c1nc(no1)-c1ccc2ccccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28N6O2/c34-27(29-17-24-21-7-3-1-5-18(21)11-14-28-24)33-15-12-20(13-16-33)26-31-25(32-35-26)23-10-9-19-6-2-4-8-22(19)30-23/h1-10,20,24,28H,11-17H2,(H,29,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MEVQGCOXDGMFDG-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