General Information of the Compound
| Compound ID |
CP0014731
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-amino-2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyridin-3-yl]amino]-1,3-thiazol-5-yl]-(2,6-dichlorophenyl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22Cl2N6OS
|
||||||||||||||||||
| Molecular Weight |
477.421
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2c(Cl)cccc2Cl)c(C)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22Cl2N6OS/c1-12-15(6-7-16(25-12)29-10-8-28(2)9-11-29)26-21-27-20(24)19(31-21)18(30)17-13(22)4-3-5-14(17)23/h3-7H,8-11,24H2,1-2H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LHMJTCJXGOQGEX-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 | |||||||||||||||||||
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