General Information of the Compound
| Compound ID |
CP0404850
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,2-bis(4-methoxyphenyl)-1-oxa-3-azonia-2-boranuidacyclopentane
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H20BNO3
|
||||||||||||||||||
| Molecular Weight |
285.152
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)[B-]1([NH2+]CCO1)c1ccc(OC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H20BNO3/c1-19-15-7-3-13(4-8-15)17(18-11-12-21-17)14-5-9-16(20-2)10-6-14/h3-10H,11-12,18H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OYBFTKIZWFNLOU-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