General Information of the Compound
| Compound ID |
CP0385604
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(cyclohexylmethoxy)-3-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]chromen-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26Cl2O4
|
||||||||||||||||||
| Molecular Weight |
461.385
|
||||||||||||||||||
| Canonical SMILES |
OC(CCc1coc2cccc(OCC3CCCCC3)c2c1=O)c1ccc(Cl)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26Cl2O4/c26-19-11-9-17(13-20(19)27)21(28)12-10-18-15-31-23-8-4-7-22(24(23)25(18)29)30-14-16-5-2-1-3-6-16/h4,7-9,11,13,15-16,21,28H,1-3,5-6,10,12,14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
RRCFVZWVURWGOV-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