General Information of the Compound
| Compound ID |
CP0915881
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(2,4-difluorobenzoyl)-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)piperazin-2-one formic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H31F2N3O5
|
||||||||||||||||||
| Molecular Weight |
503.546
|
||||||||||||||||||
| Canonical SMILES |
O=C(c1ccc(F)cc1F)N1CCN(c2ccc(OCCCN3CCCCC3)cc2)C(=O)C1.O=CO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29F2N3O3.CH2O2/c26-19-5-10-22(23(27)17-19)25(32)29-14-15-30(24(31)18-29)20-6-8-21(9-7-20)33-16-4-13-28-11-2-1-3-12-28;2-1-3/h5-10,17H,1-4,11-16,18H2;1H,(H,2,3)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HWRLDLIRHAWZST-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: PT01206, Histamine H1 receptor
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2