General Information of the Compound
| Compound ID |
CP0224658
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-chloro-7-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butoxy]-4-methylchromen-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26ClFN2O4
|
||||||||||||||||||
| Molecular Weight |
484.955
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(=O)oc2c(Cl)c(OCCCCN3CCC(CC3)c3noc4cc(F)ccc34)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26ClFN2O4/c1-16-14-23(31)33-26-19(16)6-7-21(24(26)27)32-13-3-2-10-30-11-8-17(9-12-30)25-20-5-4-18(28)15-22(20)34-29-25/h4-7,14-15,17H,2-3,8-13H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QBXXUIOGPPBTJN-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2