General Information of the Compound
| Compound ID |
CP0708063
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(1-{3-[(7-chloroquinolin-4-yl)oxy]azetldin-1-yl}ethyl)-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, trifluoroacetate salt
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26ClF3N6O5
|
||||||||||||||||||
| Molecular Weight |
594.978
|
||||||||||||||||||
| Canonical SMILES |
CC(c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(Oc2ccnc3cc(Cl)ccc23)C1.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25ClN6O3.C2HF3O2/c1-14(22-28-23-19(24(32)29-22)11-27-31(23)16-5-8-33-9-6-16)30-12-17(13-30)34-21-4-7-26-20-10-15(25)2-3-18(20)21;3-2(4,5)1(6)7/h2-4,7,10-11,14,16-17H,5-6,8-9,12-13H2,1H3,(H,28,29,32);(H,6,7)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JTFQUTGQTDUFKM-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