General Information of the Compound
| Compound ID |
CP0493320
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8987445, 93
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H20F3N2NaO5S
|
||||||||||||||||||
| Molecular Weight |
552.506
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(cc2)C(=O)O[Na])c(C)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H21F3N2O5S.Na/c1-16-22-5-3-4-6-23(22)17(2)30-24(16)31(15-18-7-11-20(12-8-18)36-26(27,28)29)37(34,35)21-13-9-19(10-14-21)25(32)33;/h3-14H,15H2,1-2H3,(H,32,33);/q;+1/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KSKARYQYXMGAKX-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