General Information of the Compound
| Compound ID |
CP0502311
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-chloro-N-((4,4-difluoro-1-hydroxycyclohexyl)methyl)-5-(5-fluoropyrimidin-2-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17ClF3N3O2
|
||||||||||||||||||
| Molecular Weight |
399.8
|
||||||||||||||||||
| Canonical SMILES |
OC1(CNC(=O)c2cc(ccc2Cl)-c2ncc(F)cn2)CCC(F)(F)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17ClF3N3O2/c19-14-2-1-11(15-23-8-12(20)9-24-15)7-13(14)16(26)25-10-17(27)3-5-18(21,22)6-4-17/h1-2,7-9,27H,3-6,10H2,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KKZWAGTUJSFJEL-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: PT01449, P2X purinoceptor 7
Protein ID: PT03917, P2X purinoceptor 7
Protein ID: PT03475, P2X purinoceptor 7