General Information of the Compound
| Compound ID |
CP0868061
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(1-(5-ethylpyrimidin-2-yl)piperidin-4-yl)-2-(2-fluoro-4-(methylsulfonyl)phenyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28ClFN6O2S
|
||||||||||||||||||
| Molecular Weight |
507.035
|
||||||||||||||||||
| Canonical SMILES |
CCc1cnc(N2CCC(N3Cc4cn(-c5ccc(S(C)(=O)=O)cc5F)nc4C3)CC2)nc1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27FN6O2S.ClH/c1-3-16-11-25-23(26-12-16)28-8-6-18(7-9-28)29-13-17-14-30(27-21(17)15-29)22-5-4-19(10-20(22)24)33(2,31)32;/h4-5,10-12,14,18H,3,6-9,13,15H2,1-2H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
HLPMGSRTJMFCMO-UHFFFAOYSA-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