General Information of the Compound
| Compound ID |
CP0363220
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(7R)-2-[(5-chloropyridin-2-yl)oxymethyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16ClN5O2
|
||||||||||||||||||
| Molecular Weight |
393.834
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1cccc(c1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16ClN5O2/c1-13-11-25(17-4-2-3-14(7-17)9-22)20(27)18-8-16(24-26(13)18)12-28-19-6-5-15(21)10-23-19/h2-8,10,13H,11-12H2,1H3/t13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QFDLOJXOFDOYRQ-CYBMUJFWSA-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