General Information of the Compound
| Compound ID |
CP0551759
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 4-[[4-[[1-(4-fluorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidin-1-yl]methyl]benzoate
Show/Hide
|
||||||||||||||||||
| Formula |
C26H26FN5O4
|
||||||||||||||||||
| Molecular Weight |
491.523
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1ccc(CN2CCC(O)(Cn3cnc4n(ncc4c3=O)-c3ccc(F)cc3)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26FN5O4/c1-36-25(34)19-4-2-18(3-5-19)15-30-12-10-26(35,11-13-30)16-31-17-28-23-22(24(31)33)14-29-32(23)21-8-6-20(27)7-9-21/h2-9,14,17,35H,10-13,15-16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LDXNAHHICJUWMO-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 | |||||||||||||||||||
| 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