General Information of the Compound
| Compound ID |
CP0531119
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9211296, Table 6, 11
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H12ClNO2S
|
||||||||||||||||||
| Molecular Weight |
317.797
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2c(Sc3ccc(Cl)cc3)c([nH]c2c1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H12ClNO2S/c1-9-2-7-12-13(8-9)18-14(16(19)20)15(12)21-11-5-3-10(17)4-6-11/h2-8,18H,1H3,(H,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GGBJOMCSHBZQIW-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