General Information of the Compound
| Compound ID |
CP0230263
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[4-(4-amino-6-methylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]methyl]benzenesulfonyl fluoride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21FN6O2S
|
||||||||||||||||||
| Molecular Weight |
404.471
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(N)c2cnn(C3CCN(Cc4ccc(cc4)S(F)(=O)=O)CC3)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21FN6O2S/c1-12-22-17(20)16-10-21-25(18(16)23-12)14-6-8-24(9-7-14)11-13-2-4-15(5-3-13)28(19,26)27/h2-5,10,14H,6-9,11H2,1H3,(H2,20,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OLUFQLZXUKQCST-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