General Information of the Compound
| Compound ID |
CP0514214
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL400538
Show/Hide
|
||||||||||||||||||
| Formula |
C17H16O5
|
||||||||||||||||||
| Molecular Weight |
300.31
|
||||||||||||||||||
| Canonical SMILES |
CCCc1cc(=O)c2c(O)cc3cc(O)cc(OC)c3c2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16O5/c1-3-4-11-8-13(20)16-12(19)6-9-5-10(18)7-14(21-2)15(9)17(16)22-11/h5-8,18-19H,3-4H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
POMCQPYWKLKBSX-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
34434-17-8
|
||||||||||||||||||
| 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