General Information of the Compound
| Compound ID |
CP0552505
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[5-(cyclohexylmethyl)-4-oxochromen-3-yl]oxymethyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24O5
|
||||||||||||||||||
| Molecular Weight |
392.451
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc(COc2coc3cccc(CC4CCCCC4)c3c2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24O5/c25-23-21(28-14-17-9-11-18(12-10-17)24(26)27)15-29-20-8-4-7-19(22(20)23)13-16-5-2-1-3-6-16/h4,7-12,15-16H,1-3,5-6,13-14H2,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZLMRGSMRLQMKLP-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