General Information of the Compound
| Compound ID |
CP0550198
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8901315, 25
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H32N4O2S
|
||||||||||||||||||
| Molecular Weight |
464.635
|
||||||||||||||||||
| Canonical SMILES |
Cc1nn(C2CCCCC2)c2sc(cc12)C(=O)Nc1ccc2N(CCc2c1)C(=O)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32N4O2S/c1-16-20-15-22(33-24(20)30(28-16)19-8-6-5-7-9-19)23(31)27-18-10-11-21-17(14-18)12-13-29(21)25(32)26(2,3)4/h10-11,14-15,19H,5-9,12-13H2,1-4H3,(H,27,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OQUPRTBKORMHTN-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