General Information of the Compound
| Compound ID |
CP0655739
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(2-methyl-2-phenoxy-propionylamino)-adamantane-1-carboxylic acid amide
Show/Hide
|
||||||||||||||||||
| Formula |
C21H28N2O3
|
||||||||||||||||||
| Molecular Weight |
356.466
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(Oc1ccccc1)C(=O)N[C@H]1C2CC3CC1C[C@](C(N)=O)(C3)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H28N2O3/c1-20(2,26-16-6-4-3-5-7-16)19(25)23-17-14-8-13-9-15(17)12-21(10-13,11-14)18(22)24/h3-7,13-15,17H,8-12H2,1-2H3,(H2,22,24)(H,23,25)/t13?,14?,15?,17-,21-
Show/Hide
|
||||||||||||||||||
| InChIKey |
WLCAEXHUFPSPGJ-ZCHFLCOESA-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