General Information of the Compound
| Compound ID |
CP0417520
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-chloro-N-[2,4-difluoro-3-[2-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H13ClF2N4O3S
|
||||||||||||||||||
| Molecular Weight |
474.876
|
||||||||||||||||||
| Canonical SMILES |
COc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2ccccc2Cl)c1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H13ClF2N4O3S/c1-31-21-14-10-12(11-25-20(14)26-27-21)6-7-13-16(23)8-9-17(19(13)24)28-32(29,30)18-5-3-2-4-15(18)22/h2-5,8-11,28H,1H3,(H,25,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IJCIUYHKCPCMCR-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