General Information of the Compound
| Compound ID |
CP0420359
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-(5-fluoropyridin-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl]-2-methoxy-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H17F4N5O3
|
||||||||||||||||||
| Molecular Weight |
475.402
|
||||||||||||||||||
| Canonical SMILES |
COc1c(ccc(O[C@@H](C)C(F)(F)F)c1C(=O)N1Cc2cn(nc2C1)-c1ccc(F)cn1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H17F4N5O3/c1-12(22(24,25)26)34-17-5-3-13(7-27)20(33-2)19(17)21(32)30-9-14-10-31(29-16(14)11-30)18-6-4-15(23)8-28-18/h3-6,8,10,12H,9,11H2,1-2H3/t12-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XJOGEHPRWJSAKP-LBPRGKRZSA-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