General Information of the Compound
| Compound ID |
CP0704322
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[2-(4-chloro-phenoxy)-2-methyl-propionylamino]-adamantane-1-carboxylic acid (thiazol-5-ylmethyl)-amide
Show/Hide
|
||||||||||||||||||
| Formula |
C25H30ClN3O3S
|
||||||||||||||||||
| Molecular Weight |
488.053
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2CC3CC1C[C@](C(=O)NCc1cncs1)(C3)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30ClN3O3S/c1-24(2,32-19-5-3-18(26)4-6-19)22(30)29-21-16-7-15-8-17(21)11-25(9-15,10-16)23(31)28-13-20-12-27-14-33-20/h3-6,12,14-17,21H,7-11,13H2,1-2H3,(H,28,31)(H,29,30)/t15?,16?,17?,21-,25-
Show/Hide
|
||||||||||||||||||
| InChIKey |
IZDUDJSLGJQVDK-DBZHFTGUSA-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