General Information of the Compound
| Compound ID |
CP0440703
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3,4-difluoro-N-(2-(4-(6-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21F3N4O2
|
||||||||||||||||||
| Molecular Weight |
418.419
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2[nH]c(=O)n(C3CCN(CCNC(=O)c4ccc(F)c(F)c4)CC3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21F3N4O2/c22-14-2-4-18-19(12-14)28(21(30)26-18)15-5-8-27(9-6-15)10-7-25-20(29)13-1-3-16(23)17(24)11-13/h1-4,11-12,15H,5-10H2,(H,25,29)(H,26,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WCCRPCLBWZNRNV-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: PT01943, Phospholipase D1
Protein ID: PT01153, Phospholipase D2