General Information of the Compound
| Compound ID |
CP0543697
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-[4-(3-Methyl-butoxy)-phenyl]-N-[4-methyl-2-(4-methyl-piperazin-1-yl)-quinolin-6-yl]-acrylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H36N4O2
|
||||||||||||||||||
| Molecular Weight |
472.633
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CCOc1ccc(\C=C\C(=O)Nc2ccc3nc(cc(C)c3c2)N2CCN(C)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H36N4O2/c1-21(2)13-18-35-25-9-5-23(6-10-25)7-12-29(34)30-24-8-11-27-26(20-24)22(3)19-28(31-27)33-16-14-32(4)15-17-33/h5-12,19-21H,13-18H2,1-4H3,(H,30,34)/b12-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
DBBVJMZTGAFIDR-KPKJPENVSA-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