General Information of the Compound
| Compound ID |
CP0548768
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-adamantyl)-2-[1,1-dioxo-6-(2-phenylethyl)-1,2,6-thiadiazinan-2-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H33N3O3S
|
||||||||||||||||||
| Molecular Weight |
431.602
|
||||||||||||||||||
| Canonical SMILES |
O=C(CN1CCCN(CCc2ccccc2)S1(=O)=O)NC1C2CC3CC(C2)CC1C3
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H33N3O3S/c27-22(24-23-20-12-18-11-19(14-20)15-21(23)13-18)16-26-9-4-8-25(30(26,28)29)10-7-17-5-2-1-3-6-17/h1-3,5-6,18-21,23H,4,7-16H2,(H,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZUZBXYZXCMOJPS-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