General Information of the Compound
| Compound ID |
CP0962411
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(cyclopropylamino)-3-(4-(2,4-difluorobenzyl)piperidin-1-yl)quinoxaline-6-carbonitrile 2,2,2-trifluoroacetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H24F5N5O2
|
||||||||||||||||||
| Molecular Weight |
533.501
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1ccc2nc(NC3CC3)c(N3CCC(Cc4ccc(F)cc4F)CC3)nc2c1.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23F2N5.C2HF3O2/c25-18-3-2-17(20(26)13-18)11-15-7-9-31(10-8-15)24-23(28-19-4-5-19)29-21-6-1-16(14-27)12-22(21)30-24;3-2(4,5)1(6)7/h1-3,6,12-13,15,19H,4-5,7-11H2,(H,28,29);(H,6,7)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OMLCLZUWICSCAA-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