General Information of the Compound
| Compound ID |
CP0094801
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]-N,N-dimethyl-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28FN3O5
|
||||||||||||||||||
| Molecular Weight |
481.524
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN(CCO1)c1cc(=O)c2cc(cc(CN3CCOc4ccc(F)cc34)c2o1)C(=O)N(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28FN3O5/c1-16-14-30(7-8-33-16)24-13-22(31)20-11-17(26(32)28(2)3)10-18(25(20)35-24)15-29-6-9-34-23-5-4-19(27)12-21(23)29/h4-5,10-13,16H,6-9,14-15H2,1-3H3/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IKMGXHANXSBCRK-MRXNPFEDSA-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