General Information of the Compound
| Compound ID |
CP0916677
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-Adamantan-1-yl-2-(5-methyl-[1,3,4]thiadiazole-2-sulfonyl)-ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H20N2O3S2
|
||||||||||||||||||
| Molecular Weight |
340.47
|
||||||||||||||||||
| Canonical SMILES |
Cc1nnc(S(=O)(=O)CC(=O)C23CC4CC(CC(C4)C2)C3)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H20N2O3S2/c1-9-16-17-14(21-9)22(19,20)8-13(18)15-5-10-2-11(6-15)4-12(3-10)7-15/h10-12H,2-8H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CWPSZXMKNRSDAV-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