General Information of the Compound
| Compound ID |
CP0564472
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(1-acetylpiperidin-4-yl)-3-(3,7-dimethyl-1-tricyclo[3.3.0.03,7]octanyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H29N3O2
|
||||||||||||||||||
| Molecular Weight |
319.449
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N1CCC(CC1)NC(=O)NC12CC3(C)CC1CC3(C)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H29N3O2/c1-12(22)21-6-4-14(5-7-21)19-15(23)20-18-10-16(2)8-13(18)9-17(16,3)11-18/h13-14H,4-11H2,1-3H3,(H2,19,20,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VMPRHKYFAVBABM-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 | |||||||||||||||||||
| 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
Protein ID: PT01527, Bifunctional epoxide hydrolase 2
Protein ID: PT01103, Bifunctional epoxide hydrolase 2