General Information of the Compound
| Compound ID |
CP0442648
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-(1-benzothiophen-5-ylmethyl)piperidin-4-yl]-7-fluoro-4-oxochromene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H21FN2O3S
|
||||||||||||||||||
| Molecular Weight |
436.508
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2c(c1)oc(cc2=O)C(=O)NC1CCN(Cc2ccc3sccc3c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H21FN2O3S/c25-17-2-3-19-20(28)13-22(30-21(19)12-17)24(29)26-18-5-8-27(9-6-18)14-15-1-4-23-16(11-15)7-10-31-23/h1-4,7,10-13,18H,5-6,8-9,14H2,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SZJOZHJPOSHWMC-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