General Information of the Compound
| Compound ID |
CP0247280
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-diphenylphosphoryl-5-fluoro-2-pyrazol-1-ylaniline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17FN3OP
|
||||||||||||||||||
| Molecular Weight |
377.359
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(c(NP(=O)(c2ccccc2)c2ccccc2)c1)-n1cccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17FN3OP/c22-17-12-13-21(25-15-7-14-23-25)20(16-17)24-27(26,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-16H,(H,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BXDCBYARCQQTBD-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