General Information of the Compound
| Compound ID |
CP0434762
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[5-(3,5-dimethylpyrazol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H30N6OS
|
||||||||||||||||||
| Molecular Weight |
402.568
|
||||||||||||||||||
| Canonical SMILES |
CC1CCCCC1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nc(C)cc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H30N6OS/c1-13-6-4-5-7-17(13)21-18(27)16-8-10-25(11-9-16)19-22-23-20(28-19)26-15(3)12-14(2)24-26/h12-13,16-17H,4-11H2,1-3H3,(H,21,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UYTPWSIMLOOMFC-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