General Information of the Compound
| Compound ID |
CP0537198
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428456, 1.218
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28ClF3N4O2
|
||||||||||||||||||
| Molecular Weight |
508.972
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc(n1)C(=O)Nc1ccc(Cl)c(CN2CCC(CC2)C(=O)NC2CCCC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28ClF3N4O2/c26-20-9-8-19(31-24(35)21-6-3-7-22(32-21)25(27,28)29)14-17(20)15-33-12-10-16(11-13-33)23(34)30-18-4-1-2-5-18/h3,6-9,14,16,18H,1-2,4-5,10-13,15H2,(H,30,34)(H,31,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DGCVFUGXQJATEQ-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