General Information of the Compound
| Compound ID |
CP0546725
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
11-(1-adamantylcarbamoylamino)undecanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H38N2O3
|
||||||||||||||||||
| Molecular Weight |
378.557
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H38N2O3/c25-20(26)9-7-5-3-1-2-4-6-8-10-23-21(27)24-22-14-17-11-18(15-22)13-19(12-17)16-22/h17-19H,1-16H2,(H,25,26)(H2,23,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RMMJVDSMRGOUOA-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 | |||||||||||||||||||
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