General Information of the Compound
| Compound ID |
CP0437595
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-bromo-2-fluorobenzyl)-5-(trifluoromethoxy)indoline-2,3-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H8BrF4NO3
|
||||||||||||||||||
| Molecular Weight |
418.14
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(Br)ccc1CN1C(=O)C(=O)c2cc(OC(F)(F)F)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H8BrF4NO3/c17-9-2-1-8(12(18)5-9)7-22-13-4-3-10(25-16(19,20)21)6-11(13)14(23)15(22)24/h1-6H,7H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
MMWSXSYLWVHUFH-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
Protein ID: PT01913, Muscarinic acetylcholine receptor M1
Protein ID: PT01516, Muscarinic acetylcholine receptor M5