General Information of the Compound
| Compound ID |
CP0571286
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1,1,1,3,3,3-hexafluoro-2-[4-(3-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazin-7-yl]propan-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H12F7NO3S2
|
||||||||||||||||||
| Molecular Weight |
475.407
|
||||||||||||||||||
| Canonical SMILES |
OC(c1ccc2N(CCSc2c1)S(=O)(=O)c1cccc(F)c1)(C(F)(F)F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H12F7NO3S2/c18-11-2-1-3-12(9-11)30(27,28)25-6-7-29-14-8-10(4-5-13(14)25)15(26,16(19,20)21)17(22,23)24/h1-5,8-9,26H,6-7H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
XDQGJVAHXLJJMY-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