General Information of the Compound
| Compound ID |
CP0478480
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428500, 14
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H27F3N4
|
||||||||||||||||||
| Molecular Weight |
512.579
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(\C=C\c4ccc(cc4)C(F)(F)F)c3c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H27F3N4/c1-37-16-18-38(19-17-37)26-11-6-22(7-12-26)24-8-13-28-27(20-24)29-23(14-15-35-30(29)36-28)5-2-21-3-9-25(10-4-21)31(32,33)34/h2-15,20H,16-19H2,1H3,(H,35,36)/b5-2+
Show/Hide
|
||||||||||||||||||
| InChIKey |
XDWXZZIZKQCZCZ-GORDUTHDSA-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