General Information of the Compound
| Compound ID |
CP0339280
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(4-fluorophenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H10FN9S
|
||||||||||||||||||
| Molecular Weight |
379.384
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)-c1cnc2nnc(CSc3ncnc4n[nH]cc34)n2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H10FN9S/c17-10-3-1-9(2-4-10)12-6-18-16-24-22-13(26(16)25-12)7-27-15-11-5-21-23-14(11)19-8-20-15/h1-6,8H,7H2,(H,19,20,21,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LIZUGKAHGHZZIC-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