General Information of the Compound
| Compound ID |
CP0377491
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-chloro-6-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]-7,8-dihydro-3H-[1,4]dioxino[2,3-e]benzimidazole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H15ClF4N4O3
|
||||||||||||||||||
| Molecular Weight |
506.843
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3ccc(cc3)C(F)(F)F)c3OCCOc3c2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H15ClF4N4O3/c24-14-2-1-3-15(25)17(14)31-22-30-16-10-13(19-20(18(16)32-22)35-9-8-34-19)21(33)29-12-6-4-11(5-7-12)23(26,27)28/h1-7,10H,8-9H2,(H,29,33)(H2,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IOHYBYFMVKIMJD-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