General Information of the Compound
| Compound ID |
CP0508146
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28N4O
|
||||||||||||||||||
| Molecular Weight |
400.526
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(C)cc3)ccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28N4O/c1-18-4-6-20(7-5-18)8-11-25(30)26-21-9-10-23-22(17-21)19(2)16-24(27-23)29-14-12-28(3)13-15-29/h4-11,16-17H,12-15H2,1-3H3,(H,26,30)/b11-8+
Show/Hide
|
||||||||||||||||||
| InChIKey |
GRCVUNIBNYGVJQ-DHZHZOJOSA-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