General Information of the Compound
| Compound ID |
CP0093360
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5-methylpyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H30FN3O3
|
||||||||||||||||||
| Molecular Weight |
415.509
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)cc(OCC)c1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H30FN3O3/c1-4-29-20-11-17(12-21(22(20)24)30-5-2)15-27-8-6-19(7-9-27)26-23(28)18-10-16(3)13-25-14-18/h10-14,19H,4-9,15H2,1-3H3,(H,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QCJRQVJPUYADQP-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