General Information of the Compound
| Compound ID |
CP0521083
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,3-dichloro-N-[3-methoxy-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-4-yl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H13Cl2N5O4S
|
||||||||||||||||||
| Molecular Weight |
430.273
|
||||||||||||||||||
| Canonical SMILES |
COc1nn(C2COC2)c2ncnc(NS(=O)(=O)c3cccc(Cl)c3Cl)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H13Cl2N5O4S/c1-25-15-11-13(18-7-19-14(11)22(20-15)8-5-26-6-8)21-27(23,24)10-4-2-3-9(16)12(10)17/h2-4,7-8H,5-6H2,1H3,(H,18,19,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KXZMXTMTKANOKL-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