General Information of the Compound
| Compound ID |
CP0426628
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(5-(1,4'-bipiperidin-1'-yl)-1,3,4-thiadiazol-2-yl)isophthalonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22N6S
|
||||||||||||||||||
| Molecular Weight |
378.505
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1cc(cc(c1)-c1nnc(s1)N1CCC(CC1)N1CCCCC1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22N6S/c21-13-15-10-16(14-22)12-17(11-15)19-23-24-20(27-19)26-8-4-18(5-9-26)25-6-2-1-3-7-25/h10-12,18H,1-9H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
PXSUTFZDDIPUEP-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