General Information of the Compound
| Compound ID |
CP0082777
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(4-methoxyphenyl)methyl]-4-oxo-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]quinoline-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H42N4O3
|
||||||||||||||||||
| Molecular Weight |
602.779
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Cn2cc(C(=O)NCCCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)c3ccccc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H42N4O3/c1-45-28-21-19-27(20-22-28)25-42-26-32(37(43)31-15-7-10-18-35(31)42)38(44)40-24-12-4-2-3-11-23-39-36-29-13-5-8-16-33(29)41-34-17-9-6-14-30(34)36/h5,7-8,10,13,15-16,18-22,26H,2-4,6,9,11-12,14,17,23-25H2,1H3,(H,39,41)(H,40,44)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GHSCLZBQMFGTOK-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