General Information of the Compound
| Compound ID |
CP0223516
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(7-tert-Butyl-3,3-dimethyl-2,3-dihydro-benzofuran-5-yl)-4-cyclopropyl-butan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H30O2
|
||||||||||||||||||
| Molecular Weight |
314.469
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1cc(cc2c1OCC2(C)C)C(=O)CCCC1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H30O2/c1-20(2,3)16-11-15(18(22)8-6-7-14-9-10-14)12-17-19(16)23-13-21(17,4)5/h11-12,14H,6-10,13H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DAEKZKUAFVMFKP-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