General Information of the Compound
| Compound ID |
CP0035632
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-fluoro-2-methoxy-phenoxy)-N-(5-methanesulfonyl-adamantan-2-yl)-2-methyl-propionamide
Show/Hide
|
||||||||||||||||||
| Formula |
C22H30FNO5S
|
||||||||||||||||||
| Molecular Weight |
439.549
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(F)ccc1OC(C)(C)C(=O)N[C@H]1C2CC3CC1C[C@](C3)(C2)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H30FNO5S/c1-21(2,29-17-6-5-16(23)9-18(17)28-3)20(25)24-19-14-7-13-8-15(19)12-22(10-13,11-14)30(4,26)27/h5-6,9,13-15,19H,7-8,10-12H2,1-4H3,(H,24,25)/t13?,14?,15?,19-,22-
Show/Hide
|
||||||||||||||||||
| InChIKey |
OXJFVFXQQOZVHD-TXBRZDKCSA-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 | |||||||||||||||||||
| 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