General Information of the Compound
| Compound ID |
CP0916472
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-(1-((5-(1-(4-fluorophenyl)-1H-benzo[d]imidazole-2-carbonyl)pyridin-2-yl)methyl)piperidin-4-yl)phenyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H30FN5O2
|
||||||||||||||||||
| Molecular Weight |
547.634
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Nc1cccc(C2CCN(Cc3ccc(C(=O)c4nc5ccccc5n4-c4ccc(F)cc4)cn3)CC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H30FN5O2/c1-22(40)36-27-6-4-5-24(19-27)23-15-17-38(18-16-23)21-28-12-9-25(20-35-28)32(41)33-37-30-7-2-3-8-31(30)39(33)29-13-10-26(34)11-14-29/h2-14,19-20,23H,15-18,21H2,1H3,(H,36,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ODQNTUICCYAWTO-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