General Information of the Compound
| Compound ID |
CP0145245
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[2-[(2R)-4-(5-fluoropyrimidin-2-yl)-2-methylpiperazin-1-yl]pyrimidin-5-yl]oxymethyl]pyridine-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19FN8O
|
||||||||||||||||||
| Molecular Weight |
406.425
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN(CCN1c1ncc(OCc2ccncc2C#N)cn1)c1ncc(F)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19FN8O/c1-14-12-28(19-24-8-17(21)9-25-19)4-5-29(14)20-26-10-18(11-27-20)30-13-15-2-3-23-7-16(15)6-22/h2-3,7-11,14H,4-5,12-13H2,1H3/t14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AMHHRGZLTPMKNL-CQSZACIVSA-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