General Information of the Compound
| Compound ID |
CP0849094
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-(dimethylamino)-1,4,4-trimethyl-6-(5-(piperidine-1-carbonyl)thiophen-2-yl)-3,4-dihydro-2Hthiochromeno[3,2-g]quinolin-1-ium hexafluorophosphate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H36F6N3OPS2
|
||||||||||||||||||
| Molecular Weight |
675.745
|
||||||||||||||||||
| Canonical SMILES |
CN1CCC(C)(C)c2cc3c(-c4ccc(C(=O)N5CCCCC5)s4)c4ccc(=[N+](C)C)cc-4sc3cc21.F[P-](F)(F)(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H36N3OS2.F6P/c1-31(2)13-16-33(5)24-19-28-22(18-23(24)31)29(21-10-9-20(32(3)4)17-27(21)37-28)25-11-12-26(36-25)30(35)34-14-7-6-8-15-34;1-7(2,3,4,5)6/h9-12,17-19H,6-8,13-16H2,1-5H3;/q+1;-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WPKPHIXSZYPMFU-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
Protein ID: PT01546, ATP-dependent translocase ABCB1