General Information of the Compound
| Compound ID |
CP0454161
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(1S,2R)-2-ethoxycarbonyl-2-icosylcyclopentyl] 2-(trimethylazaniumyl)ethyl phosphate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H66NO6P
|
||||||||||||||||||
| Molecular Weight |
603.866
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCCCCCCCCCCCCC[C@]1(CCC[C@@H]1OP([O-])(=O)OCC[N+](C)(C)C)C(=O)OCC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H66NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-33(32(35)38-7-2)28-25-26-31(33)40-41(36,37)39-30-29-34(3,4)5/h31H,6-30H2,1-5H3/t31-,33+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XJKDPCDFJKLTIM-CQTOTRCISA-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