General Information of the Compound
| Compound ID |
CP0442255
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8987445, 84
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H19N2NaO4S2
|
||||||||||||||||||
| Molecular Weight |
510.572
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(ncc2ccccc12)N(Cc1cc2ccccc2s1)S(=O)(=O)c1ccc(cc1)C(=O)O[Na]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H20N2O4S2.Na/c1-17-23-8-4-2-7-20(23)15-27-25(17)28(16-21-14-19-6-3-5-9-24(19)33-21)34(31,32)22-12-10-18(11-13-22)26(29)30;/h2-15H,16H2,1H3,(H,29,30);/q;+1/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QTLRIBDBSJYZJY-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