General Information of the Compound
| Compound ID |
CP0105230
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-amino-N-(1-((2-(benzyloxy)-6-ethoxy-4'-fluorobiphenyl-4-yl)methyl)piperidin-4-yl)nicotinamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H35FN4O3
|
||||||||||||||||||
| Molecular Weight |
554.666
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cc(CN2CCC(CC2)NC(=O)c2ccc(N)nc2)cc(OCc2ccccc2)c1-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H35FN4O3/c1-2-40-29-18-24(21-38-16-14-28(15-17-38)37-33(39)26-10-13-31(35)36-20-26)19-30(41-22-23-6-4-3-5-7-23)32(29)25-8-11-27(34)12-9-25/h3-13,18-20,28H,2,14-17,21-22H2,1H3,(H2,35,36)(H,37,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VGTBCHGQRVWGCK-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