General Information of the Compound
| Compound ID |
CP0436410
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-(4-amino-2-methylquinolin-6-yl)-2-[4-(decyliminomethyl)phenoxymethyl]benzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C35H42N4O2
|
||||||||||||||||||
| Molecular Weight |
550.747
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCCC\N=C\c1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H42N4O2/c1-3-4-5-6-7-8-9-12-21-37-24-27-15-18-30(19-16-27)41-25-28-13-10-11-14-31(28)35(40)39-29-17-20-34-32(23-29)33(36)22-26(2)38-34/h10-11,13-20,22-24H,3-9,12,21,25H2,1-2H3,(H2,36,38)(H,39,40)/b37-24+
Show/Hide
|
||||||||||||||||||
| InChIKey |
UIOKIUVZRBZCTE-HWLOXFRGSA-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