General Information of the Compound
| Compound ID |
CP0562169
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-1-(oxolan-2-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H23F2N5O2
|
||||||||||||||||||
| Molecular Weight |
463.488
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc2cc(ccc2n1)-c1cc(F)c(CN2Cc3cnn(CC4CCCO4)c3C2=O)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23F2N5O2/c1-30-11-17-7-15(4-5-23(17)29-30)16-8-21(26)20(22(27)9-16)14-31-12-18-10-28-32(24(18)25(31)33)13-19-3-2-6-34-19/h4-5,7-11,19H,2-3,6,12-14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VJLLMFLWTSXEJC-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