General Information of the Compound
| Compound ID |
CP0440951
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,4-difluoro-N-[5-[5-(5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-3-yl)thiophen-2-yl]pyridin-3-yl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H14F2N4O3S2
|
||||||||||||||||||
| Molecular Weight |
484.509
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(c(F)c1)S(=O)(=O)Nc1cncc(c1)-c1ccc(s1)-c1cnc2CNC(=O)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H14F2N4O3S2/c23-14-1-4-21(17(24)7-14)33(30,31)28-15-5-12(8-25-10-15)19-2-3-20(32-19)13-6-16-18(26-9-13)11-27-22(16)29/h1-10,28H,11H2,(H,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YYHMCNBPIRZVIV-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