General Information of the Compound
| Compound ID |
CP0561485
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9120756, 27
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H31ClN4O4S
|
||||||||||||||||||
| Molecular Weight |
519.067
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1NS(C)(=O)=O)C(C)C(=O)NCc1cc(nn1-c1cccc(Cl)c1)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31ClN4O4S/c1-16(17-10-11-21(22(12-17)34-5)29-35(6,32)33)24(31)27-15-20-14-23(25(2,3)4)28-30(20)19-9-7-8-18(26)13-19/h7-14,16,29H,15H2,1-6H3,(H,27,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VPVQGKJHURIMIH-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