General Information of the Compound
| Compound ID |
CP0109998
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-benzyl-8-[[3-(benzylcarbamoyl)quinolin-8-yl]disulfanyl]quinoline-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H26N4O2S2
|
||||||||||||||||||
| Molecular Weight |
586.742
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCc1ccccc1)c1cnc2c(SSc3cccc4cc(cnc34)C(=O)NCc3ccccc3)cccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H26N4O2S2/c39-33(37-19-23-9-3-1-4-10-23)27-17-25-13-7-15-29(31(25)35-21-27)41-42-30-16-8-14-26-18-28(22-36-32(26)30)34(40)38-20-24-11-5-2-6-12-24/h1-18,21-22H,19-20H2,(H,37,39)(H,38,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PKASMGPCAKICHF-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