General Information of the Compound
| Compound ID |
CP0569734
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-(((3R,5S)-1-((6-fluoro-2-methylbenzo[d]thiazol-5-yl)methyl)-5-methylpyrrolidin-3-yl)oxy)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)ethan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24FN5O2S
|
||||||||||||||||||
| Molecular Weight |
441.532
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1C[C@H](CN1Cc1cc2nc(C)sc2cc1F)Oc1ncc2CN(Cc2n1)C(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24FN5O2S/c1-12-4-17(30-22-24-7-16-9-28(14(3)29)11-20(16)26-22)10-27(12)8-15-5-19-21(6-18(15)23)31-13(2)25-19/h5-7,12,17H,4,8-11H2,1-3H3/t12-,17+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ACUGCLYHYSHFAE-YVEFUNNKSA-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