General Information of the Compound
| Compound ID |
CP0391535
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-(5-Chloro-2-oxo-benzothiazol-3-yl)-acetyl]-piperidine-4-carboxylic acid naphthalen-1-ylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22ClN3O3S
|
||||||||||||||||||
| Molecular Weight |
479.989
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc2sc(=O)n(CC(=O)N3CCC(CC3)C(=O)Nc3cccc4ccccc34)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H22ClN3O3S/c26-18-8-9-22-21(14-18)29(25(32)33-22)15-23(30)28-12-10-17(11-13-28)24(31)27-20-7-3-5-16-4-1-2-6-19(16)20/h1-9,14,17H,10-13,15H2,(H,27,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XZUXWKRYXZVLTC-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