General Information of the Compound
| Compound ID |
CP0544467
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-methyl-N-[[6-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H34N6
|
||||||||||||||||||
| Molecular Weight |
394.567
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1nc(CN(C)C2CCCc3cccnc23)cc(n1)N1CCN(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H34N6/c1-17(2)23-25-19(15-21(26-23)29-13-11-27(3)12-14-29)16-28(4)20-9-5-7-18-8-6-10-24-22(18)20/h6,8,10,15,17,20H,5,7,9,11-14,16H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MWDJZPAXVDUJFO-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