General Information of the Compound
| Compound ID |
CP0551185
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8987445, 2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H18F3N2NaO5S
|
||||||||||||||||||
| Molecular Weight |
538.479
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(ncc2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(cc1)C(=O)O[Na]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H19F3N2O5S.Na/c1-16-22-5-3-2-4-19(22)14-29-23(16)30(15-17-6-10-20(11-7-17)35-25(26,27)28)36(33,34)21-12-8-18(9-13-21)24(31)32;/h2-14H,15H2,1H3,(H,31,32);/q;+1/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JTNKBTUBIVFIPA-UHFFFAOYSA-M
|
||||||||||||||||||
| 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