General Information of the Compound
| Compound ID |
CP0136126
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-methyl-N-(5-sulfamoyl-adamantan-2-yl)-2-(2-trifluoromethoxy-phenoxy)-propionamide
Show/Hide
|
||||||||||||||||||
| Formula |
C21H27F3N2O5S
|
||||||||||||||||||
| Molecular Weight |
476.517
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(Oc1ccccc1OC(F)(F)F)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(N)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27F3N2O5S/c1-19(2,30-15-5-3-4-6-16(15)31-21(22,23)24)18(27)26-17-13-7-12-8-14(17)11-20(9-12,10-13)32(25,28)29/h3-6,12-14,17H,7-11H2,1-2H3,(H,26,27)(H2,25,28,29)/t12?,13?,14?,17-,20-
Show/Hide
|
||||||||||||||||||
| InChIKey |
KBPAWKAPWANKIO-OQZFIPPTSA-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