General Information of the Compound
| Compound ID |
CP0133758
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-7-methyl-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H15FN6S
|
||||||||||||||||||
| Molecular Weight |
390.447
|
||||||||||||||||||
| Canonical SMILES |
CC1Sc2nnc(-c3cc(n[nH]3)-c3ccc(F)cc3)n2N=C1c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H15FN6S/c1-12-18(14-5-3-2-4-6-14)26-27-19(24-25-20(27)28-12)17-11-16(22-23-17)13-7-9-15(21)10-8-13/h2-12H,1H3,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FZNDXSOXXZDUFL-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