General Information of the Compound
| Compound ID |
CP0378513
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[6-(2-methyl-benzoylamino)-naphthalene-2-sulfonylamino]-piperidine-1-carboxylic acid ethyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29N3O5S
|
||||||||||||||||||
| Molecular Weight |
495.601
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)N1CCC(CC1)NS(=O)(=O)c1ccc2cc(NC(=O)c3ccccc3C)ccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29N3O5S/c1-3-34-26(31)29-14-12-21(13-15-29)28-35(32,33)23-11-9-19-16-22(10-8-20(19)17-23)27-25(30)24-7-5-4-6-18(24)2/h4-11,16-17,21,28H,3,12-15H2,1-2H3,(H,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LGFZGHXHUBICGF-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