General Information of the Compound
| Compound ID |
CP0895071
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(1H-Imidazol-4-yl)propyl2-cyclohexylethylcarbamate hydrogenmaleate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H29N3O6
|
||||||||||||||||||
| Molecular Weight |
395.456
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCCC1CCCCC1)OCCCc1c[nH]cn1.O=C(O)/C=C\C(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H25N3O2.C4H4O4/c19-15(17-9-8-13-5-2-1-3-6-13)20-10-4-7-14-11-16-12-18-14;5-3(6)1-2-4(7)8/h11-13H,1-10H2,(H,16,18)(H,17,19);1-2H,(H,5,6)(H,7,8)/b;2-1-
Show/Hide
|
||||||||||||||||||
| InChIKey |
FQBGGRRSQOMUKR-BTJKTKAUSA-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: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor