General Information of the Compound
| Compound ID |
CP0490322
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(6-fluoro-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]aniline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21FN4O3S
|
||||||||||||||||||
| Molecular Weight |
392.456
|
||||||||||||||||||
| Canonical SMILES |
Nc1ccc(cc1)S(=O)(=O)N1CCOc2c(cc(F)cc12)N1CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21FN4O3S/c19-13-11-16(22-7-5-21-6-8-22)18-17(12-13)23(9-10-26-18)27(24,25)15-3-1-14(20)2-4-15/h1-4,11-12,21H,5-10,20H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZGXBKWOHLOSVCQ-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