General Information of the Compound
| Compound ID |
CP0471966
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-N-(1-(4-chlorophenyl)-3-oxobutan-2-yl)-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzo[b]thiophene-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28ClNO4S
|
||||||||||||||||||
| Molecular Weight |
498.044
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)C(Cc1ccc(Cl)cc1)N(C1CCC2(CC1)OCCO2)C(=O)c1csc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28ClNO4S/c1-18(30)24(16-19-6-8-20(28)9-7-19)29(21-10-12-27(13-11-21)32-14-15-33-27)26(31)23-17-34-25-5-3-2-4-22(23)25/h2-9,17,21,24H,10-16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PYWMCEZVCPXRBD-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