General Information of the Compound
| Compound ID |
CP0380206
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3',4'-difluoro-4-(methylsulfonyl)biphenyl-2-yl)(3-(trifluoromethyl)-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H15F5N2O3S
|
||||||||||||||||||
| Molecular Weight |
482.43
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1ccc(-c2ccc(F)c(F)c2)c(c1)C(=O)N1Cc2cc(cnc2C1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H15F5N2O3S/c1-33(31,32)15-3-4-16(12-2-5-18(23)19(24)7-12)17(8-15)21(30)29-10-13-6-14(22(25,26)27)9-28-20(13)11-29/h2-9H,10-11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HXKDSNZJKHAINQ-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: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2