General Information of the Compound
| Compound ID |
CP0476699
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1,5-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)-1,2,5-thiadiazol-3-ylsulfanyl]pentane
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H30N6S4
|
||||||||||||||||||
| Molecular Weight |
494.781
|
||||||||||||||||||
| Canonical SMILES |
CN1CCC=C(C1)c1nsnc1SCCCCCSc1nsnc1C1=CCCN(C)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H30N6S4/c1-26-10-6-8-16(14-26)18-20(24-30-22-18)28-12-4-3-5-13-29-21-19(23-31-25-21)17-9-7-11-27(2)15-17/h8-9H,3-7,10-15H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KNPRSBGYHUWXQJ-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