General Information of the Compound
| Compound ID |
CP0421514
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-piperidine-4-carboxylic acid (6-methoxy-pyridin-3-yl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21ClN4O4S
|
||||||||||||||||||
| Molecular Weight |
460.943
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(NC(=O)C2CCN(CC2)C(=O)Cn2c3cc(Cl)ccc3sc2=O)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21ClN4O4S/c1-30-18-5-3-15(11-23-18)24-20(28)13-6-8-25(9-7-13)19(27)12-26-16-10-14(22)2-4-17(16)31-21(26)29/h2-5,10-11,13H,6-9,12H2,1H3,(H,24,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JUWCYLHXZSKQNP-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