General Information of the Compound
| Compound ID |
CP0576460
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8987445, 35
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H15ClF3N2NaO5S
|
||||||||||||||||||
| Molecular Weight |
558.897
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)Oc1ccc(CN(c2ncc3ccccc3c2Cl)S(=O)(=O)c2ccc(cc2)C(=O)O[Na])cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H16ClF3N2O5S.Na/c25-21-20-4-2-1-3-17(20)13-29-22(21)30(14-15-5-9-18(10-6-15)35-24(26,27)28)36(33,34)19-11-7-16(8-12-19)23(31)32;/h1-13H,14H2,(H,31,32);/q;+1/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PWOBWLLNWWITHV-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