General Information of the Compound
| Compound ID |
CP0067500
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-diphenylphosphoryl-3-methylsulfonyl-N-propylaniline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24NO3PS
|
||||||||||||||||||
| Molecular Weight |
413.479
|
||||||||||||||||||
| Canonical SMILES |
CCCN(c1cccc(c1)S(C)(=O)=O)P(=O)(c1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24NO3PS/c1-3-17-23(19-11-10-16-22(18-19)28(2,25)26)27(24,20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-16,18H,3,17H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZYEADHURPDHKRY-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