General Information of the Compound
| Compound ID |
CP0311888
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-((4-(5-fluoro-1H-indol-3-yl)-5,6-dihydropyridin-1(2H)-yl)methyl)-8-methoxy-3,4-dihydro-2H-benzo[b][1,4]oxazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24FN3O2
|
||||||||||||||||||
| Molecular Weight |
393.462
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc2NCC(CN3CCC(=CC3)c3c[nH]c4ccc(F)cc34)Oc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24FN3O2/c1-28-22-4-2-3-21-23(22)29-17(12-25-21)14-27-9-7-15(8-10-27)19-13-26-20-6-5-16(24)11-18(19)20/h2-7,11,13,17,25-26H,8-10,12,14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BPBCGWPBILSOFV-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