General Information of the Compound
| Compound ID |
CP0899376
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
cyclohexanaminium hydrogenbromo(4-tetradecanamidophenyl)methylphosphonate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H48BrN2O4P
|
||||||||||||||||||
| Molecular Weight |
575.569
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCCCCCCC(=O)Nc1ccc(C(Br)P(=O)(O)O)cc1.NC1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H35BrNO4P.C6H13N/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(24)23-19-16-14-18(15-17-19)21(22)28(25,26)27;7-6-4-2-1-3-5-6/h14-17,21H,2-13H2,1H3,(H,23,24)(H2,25,26,27);6H,1-5,7H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
JJIWNZXAFQIJPI-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