General Information of the Compound
| Compound ID |
CP0491869
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9447114, 24
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H20Cl2N2O3S
|
||||||||||||||||||
| Molecular Weight |
475.397
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2sc(c(Cc3ccc(Cl)cc3)c2c(=O)n(CCCO)c1=O)-c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20Cl2N2O3S/c1-26-22-19(21(29)27(23(26)30)11-2-12-28)18(13-14-3-7-16(24)8-4-14)20(31-22)15-5-9-17(25)10-6-15/h3-10,28H,2,11-13H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SDJSPAJTAKXHNU-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