General Information of the Compound
| Compound ID |
CP0944941
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3-Hydroxybenzyl)-7-phenethoxy-2,3-dihydro-1H-inden-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H22O3
|
||||||||||||||||||
| Molecular Weight |
358.437
|
||||||||||||||||||
| Canonical SMILES |
O=C1c2c(cccc2OCCc2ccccc2)CC1Cc1cccc(O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22O3/c25-21-10-4-8-18(15-21)14-20-16-19-9-5-11-22(23(19)24(20)26)27-13-12-17-6-2-1-3-7-17/h1-11,15,20,25H,12-14,16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
ODPBZLHMNKLIHF-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