General Information of the Compound
| Compound ID |
CP0477465
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(8S)-3-(4-bromophenyl)-2,3,7,8-tetrahydrofuro[2,3-g][1,4]benzodioxin-8-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15BrO5
|
||||||||||||||||||
| Molecular Weight |
391.217
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C[C@@H]1COc2cc3OC(COc3cc12)c1ccc(Br)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15BrO5/c19-12-3-1-10(2-4-12)17-9-23-15-6-13-11(5-18(20)21)8-22-14(13)7-16(15)24-17/h1-4,6-7,11,17H,5,8-9H2,(H,20,21)/t11-,17?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XZRHZZLJBFCOFQ-VCQTYVLVSA-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