General Information of the Compound
| Compound ID |
CP0800199
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[6-(4-{1-[2,4-dichloro-3-(2,4-dimethyl-quinolin-8-yloxymethyl)-benzenesulfonylamino]-cyclopentanecarbonyl}-piperazin-1-yl)-6-oxo-hexyl]-trimethyl-ammonium
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H50Cl2N5O5S+
|
||||||||||||||||||
| Molecular Weight |
747.81
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)CCCCC[N+](C)(C)C)CC5)CCCC4)c3Cl)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H50Cl2N5O5S/c1-26-24-27(2)40-35-28(26)12-11-13-31(35)49-25-29-30(38)15-16-32(34(29)39)50(47,48)41-37(17-8-9-18-37)36(46)43-21-19-42(20-22-43)33(45)14-7-6-10-23-44(3,4)5/h11-13,15-16,24,41H,6-10,14,17-23,25H2,1-5H3/q+1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IXBJGIDDOVBBHA-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