General Information of the Compound
| Compound ID |
CP0096345
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-({2-[(piperidin-4-ylmethyl)amino]benzene}sulfonamido)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H29N3O4S
|
||||||||||||||||||
| Molecular Weight |
443.569
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1c(NS(=O)(=O)c2ccccc2NCC2CCNCC2)ccc2CCCCc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29N3O4S/c27-23(28)22-18-6-2-1-5-17(18)9-10-20(22)26-31(29,30)21-8-4-3-7-19(21)25-15-16-11-13-24-14-12-16/h3-4,7-10,16,24-26H,1-2,5-6,11-15H2,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NRQKARIDTCOQQW-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