General Information of the Compound
| Compound ID |
CP0229734
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-(3-ethoxy-4-methoxyphenyl)piperidin-4-yl]-1,3-benzothiazol-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25N3O2S
|
||||||||||||||||||
| Molecular Weight |
383.517
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cc(ccc1OC)N1CCC(CC1)Nc1nc2ccccc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25N3O2S/c1-3-26-19-14-16(8-9-18(19)25-2)24-12-10-15(11-13-24)22-21-23-17-6-4-5-7-20(17)27-21/h4-9,14-15H,3,10-13H2,1-2H3,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DOBACNIZOIMDCY-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