General Information of the Compound
| Compound ID |
CP0484316
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(difluoromethyl)-7-[(3S)-1-[(2,6-dimethylpyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
Show/Hide
|
||||||||||||||||||
| Formula |
C19H22F2N6
|
||||||||||||||||||
| Molecular Weight |
372.423
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(CN2CCC[C@@H](C2)c2cc(nc3ncnn23)C(F)F)cc(C)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H22F2N6/c1-12-6-14(7-13(2)24-12)9-26-5-3-4-15(10-26)17-8-16(18(20)21)25-19-22-11-23-27(17)19/h6-8,11,15,18H,3-5,9-10H2,1-2H3/t15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FIPFQARGKWILRS-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