General Information of the Compound
| Compound ID |
CP0414908
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3-fluorophenyl)-3-[2-(2-methylpyridin-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H18FN5O
|
||||||||||||||||||
| Molecular Weight |
423.451
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1-c1cccc(F)c1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H18FN5O/c1-16-9-21(7-8-28-16)31-14-19-13-30(15-24(19)29-31)25(32)23-10-17(12-27)5-6-22(23)18-3-2-4-20(26)11-18/h2-11,14H,13,15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YIXNGZTVLPLRHN-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2