General Information of the Compound
| Compound ID |
CP0863134
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Pyridin-4-yl-4-[4-(4-trifluoromethyl-benzyl)-piperazin-1-yl]-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26F3N5S
|
||||||||||||||||||
| Molecular Weight |
509.601
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(CN2CCN(c3nc(-c4ccncc4)nc4sc5c(c34)CCCC5)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26F3N5S/c28-27(29,30)20-7-5-18(6-8-20)17-34-13-15-35(16-14-34)25-23-21-3-1-2-4-22(21)36-26(23)33-24(32-25)19-9-11-31-12-10-19/h5-12H,1-4,13-17H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
WVFFWVGUADGZAY-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