General Information of the Compound
| Compound ID |
CP0477461
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(7-cyclopentyloxy-4,8-dimethyl-2-oxochromen-3-yl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H20O5
|
||||||||||||||||||
| Molecular Weight |
316.353
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(OC2CCCC2)ccc2c(C)c(CC(O)=O)c(=O)oc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20O5/c1-10-13-7-8-15(22-12-5-3-4-6-12)11(2)17(13)23-18(21)14(10)9-16(19)20/h7-8,12H,3-6,9H2,1-2H3,(H,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SBZQXMHDTIKMQT-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