General Information of the Compound
| Compound ID |
CP0484240
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(3S,4R)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methylpiperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23F2N5O3
|
||||||||||||||||||
| Molecular Weight |
431.443
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OC)C(=O)N1CC[C@@H](C)[C@@H](C1)c1cc(nc2ncnn12)C(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23F2N5O3/c1-12-6-7-27(20(29)13-4-5-17(30-2)18(8-13)31-3)10-14(12)16-9-15(19(22)23)26-21-24-11-25-28(16)21/h4-5,8-9,11-12,14,19H,6-7,10H2,1-3H3/t12-,14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZAFKDTQHXWRSKP-TZMCWYRMSA-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