General Information of the Compound
| Compound ID |
CP0472780
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-(N-(6-fluoro-1,1-dioxo-1,2-benzothiazol-3-yl)anilino)-2,2-dimethylpropyl]-3-methoxypyridine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25FN4O4S
|
||||||||||||||||||
| Molecular Weight |
496.564
|
||||||||||||||||||
| Canonical SMILES |
COc1cnccc1C(=O)NCC(C)(C)CN(C1=NS(=O)(=O)c2cc(F)ccc12)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25FN4O4S/c1-25(2,15-28-24(31)19-11-12-27-14-21(19)34-3)16-30(18-7-5-4-6-8-18)23-20-10-9-17(26)13-22(20)35(32,33)29-23/h4-14H,15-16H2,1-3H3,(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OTSKYWVPYJRLJF-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