General Information of the Compound
| Compound ID |
CP0409252
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9365558, 56
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H27F7N4O5S
|
||||||||||||||||||
| Molecular Weight |
652.589
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(OCCCC(F)(F)F)ccc1[C@@]1(CC(c2ccn(CC3CC3)n2)=C(C(=O)NS(=O)(=O)C2CC2)C(=O)N1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27F7N4O5S/c28-20-12-16(43-11-1-9-26(29,30)31)4-7-19(20)25(27(32,33)34)13-18(21-8-10-38(36-21)14-15-2-3-15)22(23(39)35-25)24(40)37-44(41,42)17-5-6-17/h4,7-8,10,12,15,17H,1-3,5-6,9,11,13-14H2,(H,35,39)(H,37,40)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NHRZBSYGWXDZNN-VWLOTQADSA-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