General Information of the Compound
| Compound ID |
CP0553805
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8927539, 2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28FNO3
|
||||||||||||||||||
| Molecular Weight |
409.501
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(O)CC1(CCN(C(=O)O1)C(C)(C)C#Cc1ccc(F)cc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28FNO3/c1-23(2,15-14-19-10-12-21(26)13-11-19)27-17-16-25(30-22(27)28,18-24(3,4)29)20-8-6-5-7-9-20/h5-13,29H,16-18H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ARKIMVVPWZUORY-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