General Information of the Compound
| Compound ID |
CP0920791
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1,3-di((Z)-dec-1-enyl)-2,4-dimethyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepinium 2,2,2-trifluoroacetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H54F3NO2
|
||||||||||||||||||
| Molecular Weight |
565.805
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCC/C=C\c1c(C)c(/C=C\CCCCCCCC)c2[n+](c1C)CCCCC2.O=C([O-])C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H54N.C2HF3O2/c1-5-7-9-11-13-15-17-20-24-30-28(3)31(25-21-18-16-14-12-10-8-6-2)32-26-22-19-23-27-33(32)29(30)4;3-2(4,5)1(6)7/h20-21,24-25H,5-19,22-23,26-27H2,1-4H3;(H,6,7)/q+1;/p-1/b24-20-,25-21-;
Show/Hide
|
||||||||||||||||||
| InChIKey |
OTLUFDJGNBHGPK-QVXWMATRSA-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