General Information of the Compound
| Compound ID |
CP0566163
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-chloro-N-[2,4-difluoro-3-[2-(3-propan-2-yloxy-1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H17ClF2N4O3S
|
||||||||||||||||||
| Molecular Weight |
502.93
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1n[nH]c2ncc(cc12)C#Cc1c(F)ccc(NS(=O)(=O)c2cccc(Cl)c2)c1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H17ClF2N4O3S/c1-13(2)33-23-18-10-14(12-27-22(18)28-29-23)6-7-17-19(25)8-9-20(21(17)26)30-34(31,32)16-5-3-4-15(24)11-16/h3-5,8-13,30H,1-2H3,(H,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MBBAKPMOYYUUIZ-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