General Information of the Compound
| Compound ID |
CP0509881
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C10H10N6S
|
||||||||||||||||||
| Molecular Weight |
246.299
|
||||||||||||||||||
| Canonical SMILES |
C1Cc2n[nH]c(c2C1)-c1nnc2SCC=Nn12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C10H10N6S/c1-2-6-7(3-1)12-13-8(6)9-14-15-10-16(9)11-4-5-17-10/h4H,1-3,5H2,(H,12,13)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IXJCFQCADDLFOG-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