General Information of the Compound
| Compound ID |
CP0804285
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3S,5R)-5-(1-(cyclopropylsulfonyl)pyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)-2-(2,5-difluorophenyl)tetrahydro-2H-pyran-3-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H22F2N4O3S
|
||||||||||||||||||
| Molecular Weight |
424.473
|
||||||||||||||||||
| Canonical SMILES |
N[C@H]1C[C@@H](N2Cc3cnn(S(=O)(=O)C4CC4)c3C2)CO[C@@H]1c1cc(F)ccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H22F2N4O3S/c20-12-1-4-16(21)15(5-12)19-17(22)6-13(10-28-19)24-8-11-7-23-25(18(11)9-24)29(26,27)14-2-3-14/h1,4-5,7,13-14,17,19H,2-3,6,8-10,22H2/t13-,17+,19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SUKBIIOMRBFEMR-XVGQJIODSA-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: PT00989, Dipeptidyl peptidase 2
Protein ID: PT00907, Dipeptidyl peptidase 4
Protein ID: PT00975, Dipeptidyl peptidase 8