General Information of the Compound
| Compound ID |
CP0470877
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-chloro-N-[3-[2-(3-cyclopentyloxy-1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]-2,4-difluorophenyl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H19ClF2N4O3S
|
||||||||||||||||||
| Molecular Weight |
528.968
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(NS(=O)(=O)c2cccc(Cl)c2)c(F)c1C#Cc1cnc2[nH]nc(OC3CCCC3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H19ClF2N4O3S/c26-16-4-3-7-18(13-16)36(33,34)32-22-11-10-21(27)19(23(22)28)9-8-15-12-20-24(29-14-15)30-31-25(20)35-17-5-1-2-6-17/h3-4,7,10-14,17,32H,1-2,5-6H2,(H,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NAWXZADRFFCXNH-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