General Information of the Compound
| Compound ID |
CP0535020
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4,5,6,7-tetrahydro-1-benzothiophen-2-yl-[3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Formula |
C20H20F3N5OS
|
||||||||||||||||||
| Molecular Weight |
435.475
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cc(C2CCCN(C2)C(=O)c2cc3CCCCc3s2)n2ncnc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20F3N5OS/c21-20(22,23)17-9-14(28-19(26-17)24-11-25-28)13-5-3-7-27(10-13)18(29)16-8-12-4-1-2-6-15(12)30-16/h8-9,11,13H,1-7,10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
CFGPEAHYFLTJPO-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 | |||||||||||||||||||
| 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: PT02512, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Protein ID: PT02047, cGMP-dependent 3',5'-cyclic phosphodiesterase
Protein ID: PT01798, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A