General Information of the Compound
| Compound ID |
CP0512952
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428456, 1.301
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H31F3N4O2
|
||||||||||||||||||
| Molecular Weight |
476.543
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(CN2CCC(CC2)C(=O)NC(C)(C)C)cc1NC(=O)c1cccc(n1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31F3N4O2/c1-16-8-9-17(15-32-12-10-18(11-13-32)22(33)31-24(2,3)4)14-20(16)30-23(34)19-6-5-7-21(29-19)25(26,27)28/h5-9,14,18H,10-13,15H2,1-4H3,(H,30,34)(H,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CATVBXAOUQSPII-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