General Information of the Compound
| Compound ID |
CP0927581
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-(4-chlorobenzoyl)piperazin-1-yl)-2-(isoxazol-3-ylamino)quinoxaline-6-carbonitrile 2,2,2-trifluoroacetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H19ClF3N7O4
|
||||||||||||||||||
| Molecular Weight |
573.919
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1ccc2nc(Nc3ccon3)c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nc2c1.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H18ClN7O2.C2HF3O2/c24-17-4-2-16(3-5-17)23(32)31-10-8-30(9-11-31)22-21(28-20-7-12-33-29-20)26-18-6-1-15(14-25)13-19(18)27-22;3-2(4,5)1(6)7/h1-7,12-13H,8-11H2,(H,26,28,29);(H,6,7)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QHPCZMQUKIXZLW-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