General Information of the Compound
| Compound ID |
CP0555994
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9062048, 18
Show/Hide
|
||||||||||||||||||
| Formula |
C23H30F3N5O2S
|
||||||||||||||||||
| Molecular Weight |
497.587
|
||||||||||||||||||
| Canonical SMILES |
CSCC(O)[C@H]1CC[C@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H30F3N5O2S/c1-34-12-20(32)14-2-5-17(6-3-14)31-10-16(11-31)30-21(33)9-27-22-18-8-15(23(24,25)26)4-7-19(18)28-13-29-22/h4,7-8,13-14,16-17,20,32H,2-3,5-6,9-12H2,1H3,(H,30,33)(H,27,28,29)/t14-,17+,20?
Show/Hide
|
||||||||||||||||||
| InChIKey |
WDQFEGUNHACAKX-SXOGMHNXSA-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