General Information of the Compound
| Compound ID |
CP0529915
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Dimethylamino-naphthalene-1-sulfonic acid (3-methyl-4-phenyl-isoxazol-5-yl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21N3O3S
|
||||||||||||||||||
| Molecular Weight |
407.495
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21N3O3S/c1-15-21(16-9-5-4-6-10-16)22(28-23-15)24-29(26,27)20-14-8-11-17-18(20)12-7-13-19(17)25(2)3/h4-14,24H,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LIJDBXUVLDAURW-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