General Information of the Compound
| Compound ID |
CP0331638
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(pyridin-3-ylmethyl)-8-[[3-(pyridin-3-ylmethylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H24N6O2S2
|
||||||||||||||||||
| Molecular Weight |
588.718
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCc1cccnc1)c1cnc2c(SSc3cccc4cc(cnc34)C(=O)NCc3cccnc3)cccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H24N6O2S2/c39-31(37-17-21-5-3-11-33-15-21)25-13-23-7-1-9-27(29(23)35-19-25)41-42-28-10-2-8-24-14-26(20-36-30(24)28)32(40)38-18-22-6-4-12-34-16-22/h1-16,19-20H,17-18H2,(H,37,39)(H,38,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IECYCFVBSXMNAZ-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