General Information of the Compound
| Compound ID |
CP0464765
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E,E)-N,N'-bis[[4-[[2-[[(4-amino-2-methylquinolin-6-yl)amino]carbonyl]phenyl]methoxy]phenyl]methylene]-1,10-decanediamine
Show/Hide
|
||||||||||||||||||
| Formula |
C60H62N8O4
|
||||||||||||||||||
| Molecular Weight |
959.208
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(\C=N\CCCCCCCCCC\N=C\c4ccc(OCc5ccccc5C(=O)Nc5ccc6nc(C)cc(N)c6c5)cc4)cc3)ccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C60H62N8O4/c1-41-33-55(61)53-35-47(23-29-57(53)65-41)67-59(69)51-17-11-9-15-45(51)39-71-49-25-19-43(20-26-49)37-63-31-13-7-5-3-4-6-8-14-32-64-38-44-21-27-50(28-22-44)72-40-46-16-10-12-18-52(46)60(70)68-48-24-30-58-54(36-48)56(62)34-42(2)66-58/h9-12,15-30,33-38H,3-8,13-14,31-32,39-40H2,1-2H3,(H2,61,65)(H2,62,66)(H,67,69)(H,68,70)/b63-37+,64-38+
Show/Hide
|
||||||||||||||||||
| InChIKey |
YFOCKLGNRRSMIH-OPKOIXSNSA-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