General Information of the Compound
| Compound ID |
CP0846976
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
trans-N,N-Dimethyl-4-(4-octylphenyl)-N-propylcyclohexanaminium iodide
Show/Hide
|
||||||||||||||||||
| Formula |
C25H44IN
|
||||||||||||||||||
| Molecular Weight |
485.538
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCc1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1.[I-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H44N.HI/c1-5-7-8-9-10-11-12-22-13-15-23(16-14-22)24-17-19-25(20-18-24)26(3,4)21-6-2;/h13-16,24-25H,5-12,17-21H2,1-4H3;1H/q+1;/p-1/t24-,25-;
Show/Hide
|
||||||||||||||||||
| InChIKey |
YGGCLYHAJDEFPH-UAYJJFOUSA-M
|
||||||||||||||||||
| 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
Protein ID: PT01766, Sphingosine kinase 1
Protein ID: PT03502, Sphingosine kinase 2
Protein ID: PT01765, Sphingosine kinase 2