General Information of the Compound
| Compound ID |
CP0398048
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Dibutylamino-naphthalene-1-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H31N3O3S
|
||||||||||||||||||
| Molecular Weight |
429.586
|
||||||||||||||||||
| Canonical SMILES |
CCCCN(CCCC)c1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H31N3O3S/c1-5-7-15-26(16-8-6-2)21-13-9-12-20-19(21)11-10-14-22(20)30(27,28)25-23-17(3)18(4)24-29-23/h9-14,25H,5-8,15-16H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HTBQRHCUFQDSRI-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