General Information of the Compound
| Compound ID |
CP0546016
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8901315, 163
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H32FN5OS
|
||||||||||||||||||
| Molecular Weight |
469.63
|
||||||||||||||||||
| Canonical SMILES |
CNC1CCN(CC1)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32FN5OS/c1-16-20-15-23(33-25(20)31(29-16)19-6-4-3-5-7-19)24(32)28-18-8-9-22(21(26)14-18)30-12-10-17(27-2)11-13-30/h8-9,14-15,17,19,27H,3-7,10-13H2,1-2H3,(H,28,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IMCZTUXWGNQTDD-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