General Information of the Compound
| Compound ID |
CP0946210
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-fluoro-5-methoxyphenyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16FNO2
|
||||||||||||||||||
| Molecular Weight |
297.329
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(F)c(C2OCCc3c2[nH]c2ccccc32)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16FNO2/c1-21-11-6-7-15(19)14(10-11)18-17-13(8-9-22-18)12-4-2-3-5-16(12)20-17/h2-7,10,18,20H,8-9H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZJRRVKFGERWTDM-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