General Information of the Compound
| Compound ID |
CP0010822
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-[[2-[[6-[6-(dimethylamino)pyrimidin-4-yl]-1H-benzimidazol-2-yl]amino]pyridin-4-yl]methyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28F3N9O
|
||||||||||||||||||
| Molecular Weight |
539.566
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1cc(ncn1)-c1ccc2nc(Nc3cc(CN4CCN(CC4)C(=O)CC(F)(F)F)ccn3)[nH]c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28F3N9O/c1-36(2)23-13-20(31-16-32-23)18-3-4-19-21(12-18)34-25(33-19)35-22-11-17(5-6-30-22)15-37-7-9-38(10-8-37)24(39)14-26(27,28)29/h3-6,11-13,16H,7-10,14-15H2,1-2H3,(H2,30,33,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SNJRVUBJSCKVLN-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
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT01684, Ribosomal protein S6 kinase alpha-6