General Information of the Compound
| Compound ID |
CP0534591
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[[1-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Formula |
C24H23ClFN5O2
|
||||||||||||||||||
| Molecular Weight |
467.932
|
||||||||||||||||||
| Canonical SMILES |
OC1(Cn2cnc3n(ncc3c2=O)-c2ccc(F)cc2)CCN(Cc2ccc(Cl)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23ClFN5O2/c25-18-3-1-17(2-4-18)14-29-11-9-24(33,10-12-29)15-30-16-27-22-21(23(30)32)13-28-31(22)20-7-5-19(26)6-8-20/h1-8,13,16,33H,9-12,14-15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
NUMLEADGAGJZNQ-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