General Information of the Compound
| Compound ID |
CP0540141
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-benzofuran-5-yl-[(3S,4R)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methylpiperidin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19F2N5O2
|
||||||||||||||||||
| Molecular Weight |
411.412
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CCN(C[C@H]1c1cc(nc2ncnn12)C(F)F)C(=O)c1ccc2occc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19F2N5O2/c1-12-4-6-27(20(29)14-2-3-18-13(8-14)5-7-30-18)10-15(12)17-9-16(19(22)23)26-21-24-11-25-28(17)21/h2-3,5,7-9,11-12,15,19H,4,6,10H2,1H3/t12-,15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LYEXNMDIPNPRIQ-IUODEOHRSA-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: PT02047, cGMP-dependent 3',5'-cyclic phosphodiesterase
Protein ID: PT01798, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A