General Information of the Compound
| Compound ID |
CP0484308
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3,4-dimethoxyphenyl)-1-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Formula |
C20H23N5O3
|
||||||||||||||||||
| Molecular Weight |
381.436
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CC(=O)N2CCC[C@@H](C2)c2ccnc3ncnn23)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23N5O3/c1-27-17-6-5-14(10-18(17)28-2)11-19(26)24-9-3-4-15(12-24)16-7-8-21-20-22-13-23-25(16)20/h5-8,10,13,15H,3-4,9,11-12H2,1-2H3/t15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CAIKQTIAGHXTOX-HNNXBMFYSA-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