General Information of the Compound
| Compound ID |
CP0079015
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-8-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H26N4O6S2
|
||||||||||||||||||
| Molecular Weight |
674.76
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCc1ccc2OCOc2c1)c1cnc2c(SSc3cccc4cc(cnc34)C(=O)NCc3ccc4OCOc4c3)cccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H26N4O6S2/c41-35(39-15-21-7-9-27-29(11-21)45-19-43-27)25-13-23-3-1-5-31(33(23)37-17-25)47-48-32-6-2-4-24-14-26(18-38-34(24)32)36(42)40-16-22-8-10-28-30(12-22)46-20-44-28/h1-14,17-18H,15-16,19-20H2,(H,39,41)(H,40,42)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JCTJRDCMJZWTNM-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