General Information of the Compound
| Compound ID |
CP0086265
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-chloro-4-fluorophenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H16ClFN4O
|
||||||||||||||||||
| Molecular Weight |
334.782
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(NC(=O)C2CCN(CC2)c2ncccn2)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H16ClFN4O/c17-13-10-12(2-3-14(13)18)21-15(23)11-4-8-22(9-5-11)16-19-6-1-7-20-16/h1-3,6-7,10-11H,4-5,8-9H2,(H,21,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GKKZTCMIWNFDFF-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
Protein ID: PT03110, Mucosa-associated lymphoid tissue lymphoma translocation protein 1