General Information of the Compound
| Compound ID |
CP0063595
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1,3-benzothiazol-2-yl)-1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27N3O3S
|
||||||||||||||||||
| Molecular Weight |
425.554
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)C(=O)Nc2nc3ccccc3s2)ccc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27N3O3S/c1-3-29-20-14-16(8-9-19(20)28-2)15-26-12-10-17(11-13-26)22(27)25-23-24-18-6-4-5-7-21(18)30-23/h4-9,14,17H,3,10-13,15H2,1-2H3,(H,24,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VBCQLYSVHVOFPI-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